 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer04_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-122763.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    122781.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer04_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              10.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.40D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.228962883849    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.228962883849     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.434 Goal=   None    Shift=    0.000
 GapD=    0.434 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.04D-02 MaxDP=8.28D-01              OVMax= 2.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.04D-02    CP:  1.04D+00
 E= -401.238501248861     Delta-E=       -0.009538365011 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.238501248861     IErMin= 2 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-03 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com:  0.136D+00 0.864D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.134D+00 0.866D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.75D-03 MaxDP=1.47D-01 DE=-9.54D-03 OVMax= 9.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.15D-04    CP:  1.04D+00  1.14D+00
 E= -401.238945195175     Delta-E=       -0.000443946314 Rises=F Damp=F
 DIIS: error= 9.43D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.238945195175     IErMin= 3 ErrMin= 9.43D-04
 ErrMax= 9.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-03 BMatP= 1.42D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.43D-03
 Coeff-Com: -0.411D-01 0.471D+00 0.570D+00
 Coeff-En:   0.000D+00 0.368D+00 0.632D+00
 Coeff:     -0.407D-01 0.470D+00 0.571D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.87D-04 MaxDP=5.19D-02 DE=-4.44D-04 OVMax= 4.91D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.51D-04    CP:  1.05D+00  1.19D+00  1.17D+00
 E= -401.239704247012     Delta-E=       -0.000759051837 Rises=F Damp=F
 DIIS: error= 1.12D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.239704247012     IErMin= 4 ErrMin= 1.12D-04
 ErrMax= 1.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-05 BMatP= 1.08D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.12D-03
 Coeff-Com: -0.166D-01 0.108D+00 0.176D+00 0.732D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.108D+00 0.176D+00 0.733D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=8.18D-03 DE=-7.59D-04 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.13D-05    CP:  1.05D+00  1.20D+00  1.26D+00  1.10D+00
 E= -401.239719006863     Delta-E=       -0.000014759850 Rises=F Damp=F
 DIIS: error= 7.52D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.239719006863     IErMin= 5 ErrMin= 7.52D-05
 ErrMax= 7.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-06 BMatP= 1.98D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.914D-03-0.532D-01-0.390D-01 0.409D+00 0.682D+00
 Coeff:      0.914D-03-0.532D-01-0.390D-01 0.409D+00 0.682D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=8.52D-05 MaxDP=5.01D-03 DE=-1.48D-05 OVMax= 8.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.42D-05    CP:  1.04D+00  1.21D+00  1.32D+00  1.18D+00  1.50D+00
 E= -401.239726131654     Delta-E=       -0.000007124792 Rises=F Damp=F
 DIIS: error= 1.42D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.239726131654     IErMin= 6 ErrMin= 1.42D-05
 ErrMax= 1.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-07 BMatP= 8.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.263D-01-0.276D-01 0.775D-01 0.222D+00 0.753D+00
 Coeff:      0.168D-02-0.263D-01-0.276D-01 0.775D-01 0.222D+00 0.753D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=2.20D-03 DE=-7.12D-06 OVMax= 2.95D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.43D-06    CP:  1.04D+00  1.21D+00  1.33D+00  1.20D+00  1.68D+00
                    CP:  1.29D+00
 E= -401.239726501267     Delta-E=       -0.000000369613 Rises=F Damp=F
 DIIS: error= 5.27D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.239726501267     IErMin= 7 ErrMin= 5.27D-06
 ErrMax= 5.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-08 BMatP= 2.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-03 0.114D-02-0.929D-03-0.342D-01-0.323D-01 0.174D+00
 Coeff-Com:  0.892D+00
 Coeff:      0.252D-03 0.114D-02-0.929D-03-0.342D-01-0.323D-01 0.174D+00
 Coeff:      0.892D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.68D-06 MaxDP=1.14D-03 DE=-3.70D-07 OVMax= 1.55D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.47D-06    CP:  1.04D+00  1.21D+00  1.33D+00  1.21D+00  1.75D+00
                    CP:  1.39D+00  1.20D+00
 E= -401.239726554624     Delta-E=       -0.000000053357 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.239726554624     IErMin= 8 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-09 BMatP= 2.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.276D-02 0.249D-02-0.160D-01-0.275D-01-0.341D-01
 Coeff-Com:  0.193D+00 0.879D+00
 Coeff:     -0.116D-03 0.276D-02 0.249D-02-0.160D-01-0.275D-01-0.341D-01
 Coeff:      0.193D+00 0.879D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.13D-06 MaxDP=2.82D-04 DE=-5.34D-08 OVMax= 6.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.83D-07    CP:  1.04D+00  1.20D+00  1.33D+00  1.21D+00  1.77D+00
                    CP:  1.41D+00  1.28D+00  1.19D+00
 E= -401.239726560649     Delta-E=       -0.000000006025 Rises=F Damp=F
 DIIS: error= 7.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.239726560649     IErMin= 9 ErrMin= 7.19D-07
 ErrMax= 7.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-10 BMatP= 2.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.648D-04 0.788D-03 0.953D-03-0.153D-02-0.523D-02-0.334D-01
 Coeff-Com: -0.486D-01 0.311D+00 0.776D+00
 Coeff:     -0.648D-04 0.788D-03 0.953D-03-0.153D-02-0.523D-02-0.334D-01
 Coeff:     -0.486D-01 0.311D+00 0.776D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=4.33D-07 MaxDP=2.65D-05 DE=-6.03D-09 OVMax= 2.16D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.31D-07    CP:  1.04D+00  1.20D+00  1.33D+00  1.21D+00  1.77D+00
                    CP:  1.41D+00  1.30D+00  1.29D+00  1.15D+00
 E= -401.239726561502     Delta-E=       -0.000000000853 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.239726561502     IErMin=10 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-11 BMatP= 4.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.392D-05-0.229D-03-0.155D-03 0.188D-02 0.300D-02-0.894D-03
 Coeff-Com: -0.359D-01-0.564D-01 0.122D+00 0.967D+00
 Coeff:      0.392D-05-0.229D-03-0.155D-03 0.188D-02 0.300D-02-0.894D-03
 Coeff:     -0.359D-01-0.564D-01 0.122D+00 0.967D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.71D-07 MaxDP=1.47D-05 DE=-8.53D-10 OVMax= 9.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.93D-08    CP:  1.04D+00  1.20D+00  1.33D+00  1.21D+00  1.77D+00
                    CP:  1.41D+00  1.30D+00  1.31D+00  1.24D+00  1.23D+00
 E= -401.239726561628     Delta-E=       -0.000000000125 Rises=F Damp=F
 DIIS: error= 7.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.239726561628     IErMin=11 ErrMin= 7.48D-08
 ErrMax= 7.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-12 BMatP= 3.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.676D-05-0.143D-03-0.136D-03 0.687D-03 0.142D-02 0.298D-02
 Coeff-Com: -0.638D-02-0.449D-01-0.418D-01 0.288D+00 0.800D+00
 Coeff:      0.676D-05-0.143D-03-0.136D-03 0.687D-03 0.142D-02 0.298D-02
 Coeff:     -0.638D-02-0.449D-01-0.418D-01 0.288D+00 0.800D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=6.73D-08 MaxDP=9.40D-06 DE=-1.25D-10 OVMax= 2.20D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.97D-08    CP:  1.04D+00  1.20D+00  1.33D+00  1.21D+00  1.77D+00
                    CP:  1.41D+00  1.30D+00  1.31D+00  1.26D+00  1.29D+00
                    CP:  1.11D+00
 E= -401.239726561610     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 1.67D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -401.239726561628     IErMin=12 ErrMin= 1.67D-08
 ErrMax= 1.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-13 BMatP= 4.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-05-0.522D-05-0.141D-04-0.712D-04-0.290D-04 0.744D-03
 Coeff-Com:  0.256D-02-0.200D-02-0.239D-01-0.525D-01 0.139D+00 0.936D+00
 Coeff:      0.127D-05-0.522D-05-0.141D-04-0.712D-04-0.290D-04 0.744D-03
 Coeff:      0.256D-02-0.200D-02-0.239D-01-0.525D-01 0.139D+00 0.936D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.90D-08 MaxDP=5.99D-07 DE= 1.76D-11 OVMax= 8.25D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.04D+00  1.20D+00  1.33D+00  1.21D+00  1.77D+00
                    CP:  1.41D+00  1.30D+00  1.31D+00  1.25D+00  1.31D+00
                    CP:  1.20D+00  1.08D+00
 E= -401.239726561631     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 6.07D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.239726561631     IErMin=13 ErrMin= 6.07D-09
 ErrMax= 6.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-14 BMatP= 4.25D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.515D-06 0.152D-04 0.121D-04-0.931D-04-0.170D-03-0.153D-03
 Coeff-Com:  0.125D-02 0.476D-02-0.113D-02-0.426D-01-0.616D-01 0.215D+00
 Coeff-Com:  0.885D+00
 Coeff:     -0.515D-06 0.152D-04 0.121D-04-0.931D-04-0.170D-03-0.153D-03
 Coeff:      0.125D-02 0.476D-02-0.113D-02-0.426D-01-0.616D-01 0.215D+00
 Coeff:      0.885D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.12D-09 MaxDP=4.99D-07 DE=-2.10D-11 OVMax= 2.32D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.239726562     A.U. after   13 cycles
            NFock= 13  Conv=0.71D-08     -V/T= 2.0053
 KE= 3.991144484581D+02 PE=-1.760396938995D+03 EE= 5.489947247984D+02
 Leave Link  502 at Mon Aug 16 21:21:33 2021, MaxMem=  5637144576 cpu:             765.9 elap:              96.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.74709891D+02

 Leave Link  801 at Mon Aug 16 21:21:33 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.37D-01 4.17D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.29D-02 1.77D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.71D-03 7.15D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.22D-04 1.52D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 5.05D-06 2.52D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.14D-07 5.02D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.91D-09 7.37D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 1.23D-10 1.23D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.13D-12 1.63D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 3.36D-14 1.81D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.818797D+02
      2  0.763772D+00  0.835763D+02
      3 -0.144981D+01  0.174061D+01  0.746711D+02
 Isotropic polarizability for W=    0.088559       80.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.749007D+02 -0.267263D+02  0.276025D+02
      2  -0.378332D+02  0.121468D+02 -0.234369D+02
      3  -0.370675D+02  0.145795D+02 -0.416563D+01
      4  -0.160761D+02  0.364250D+02  0.321991D+01
      5   0.194220D+02  0.274375D+01  0.411246D+02
      6   0.807034D+01 -0.155550D+02  0.916050D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.148947D+01 -0.273591D+01 -0.139938D+01
      2   0.143587D+02 -0.247176D+01  0.254708D+02
      3   0.120184D+02 -0.263400D+02  0.264938D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.476157D+00  0.788183D+01  0.541905D+01
      2   0.818053D+01 -0.485043D+01  0.781922D+02
      3   0.106502D+02 -0.742582D+02  0.532659D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.302294D-01 -0.897895D+00 -0.646092D+00
      2  -0.897895D+00 -0.632648D+00  0.709047D+00
      3  -0.646092D+00  0.709047D+00 -0.648968D+00
 OR G Eigenvalues:    -1.4025    -1.0279     1.1186  Iso=     0.4373
 Eigenvectors:
   (1)   0.286329   0.808066  -0.514826
   (2)   0.662509   0.221195   0.715650
   (3)   0.692169  -0.545988  -0.472016
 w=    0.088559 a.u., Optical Rotation Beta=      0.4373 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      189.28 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.12D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.74D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.26D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.48D-02 1.97D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.54D-03 4.00D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.73D-05 6.07D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.17D-07 5.86D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.28D-09 3.98D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.83D-11 4.10D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.31D-13 2.83D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.02D-15 2.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 6.34D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 6.34D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.818797D+02  0.763772D+00 -0.144981D+01
      2   0.763772D+00  0.835763D+02  0.174061D+01
      3  -0.144981D+01  0.174061D+01  0.746711D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148947D+01 -0.273591D+01 -0.139938D+01
      2   0.143587D+02 -0.247176D+01  0.254708D+02
      3   0.120184D+02 -0.263400D+02  0.264938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.749007D+02 -0.267263D+02  0.276025D+02
      2  -0.378332D+02  0.121468D+02 -0.234369D+02
      3  -0.370675D+02  0.145795D+02 -0.416563D+01
      4  -0.160761D+02  0.364250D+02  0.321991D+01
      5   0.194220D+02  0.274375D+01  0.411246D+02
      6   0.807034D+01 -0.155550D+02  0.916050D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.591724D+01  0.206566D+01 -0.353013D+01  0.244319D+01  0.910818D+00
      2   0.206566D+01  0.101180D+01 -0.170406D-01  0.910818D+00 -0.606187D+01
      3  -0.353013D+01 -0.170406D-01  0.177623D+01  0.170301D+00 -0.818329D+00
                 6             7             8             9            10 
      1   0.170301D+00 -0.279080D+01  0.537732D-01  0.223346D+01  0.506688D+01
      2  -0.818329D+00  0.537732D-01 -0.113498D+00  0.290760D+01 -0.310826D+01
      3   0.248930D+01  0.223346D+01  0.290760D+01  0.255350D+00  0.296159D+01
                11            12            13            14            15 
      1  -0.310826D+01  0.296159D+01 -0.430805D+01 -0.179605D+01  0.739542D+00
      2  -0.108213D+01  0.197867D+00 -0.179605D+01  0.346970D+01  0.109181D+01
      3   0.197867D+00 -0.260767D+01  0.739542D+00  0.109181D+01 -0.369674D+01
                16            17            18            19            20 
      1   0.526321D+01  0.243911D+00 -0.309122D+01 -0.514682D+01  0.422621D+01
      2   0.243911D+00  0.107830D+01 -0.409727D+01  0.422621D+01  0.168513D+01
      3  -0.309122D+01 -0.409727D+01 -0.595100D+00 -0.191518D+01 -0.940114D+00
                21            22            23            24            25 
      1  -0.191518D+01  0.199673D+01  0.109313D+01 -0.555351D-02 -0.272151D+01
      2  -0.940114D+00  0.109313D+01 -0.149658D+01  0.703627D+00 -0.122165D+01
      3   0.105515D+01 -0.555351D-02  0.703627D+00  0.273573D+01  0.137195D+01
                26            27            28            29            30 
      1  -0.122165D+01  0.137195D+01  0.302719D+00 -0.203164D+01 -0.118668D+00
      2  -0.972801D+00  0.338179D+01 -0.203164D+01  0.687376D+00  0.131651D+01
      3   0.338179D+01  0.363452D+01 -0.118668D+00  0.131651D+01  0.209535D+00
                31            32            33            34            35 
      1  -0.196921D+01 -0.460429D+00  0.224220D+01 -0.242172D+01  0.160554D+01
      2  -0.460429D+00 -0.433863D+00  0.850018D+00  0.160554D+01  0.131122D+00
      3   0.224220D+01  0.850018D+00 -0.286954D+01  0.106289D+01 -0.226100D+01
                36            37            38            39            40 
      1   0.106289D+01  0.266255D+01  0.695787D+00 -0.258285D+01  0.204683D+00
      2  -0.226100D+01  0.695787D+00  0.159793D+01 -0.139966D+01  0.672181D+00
      3  -0.304470D+01 -0.258285D+01 -0.139966D+01  0.101084D+01 -0.176665D+01
                41            42            43            44            45 
      1   0.672181D+00 -0.176665D+01 -0.388066D+01 -0.273471D+01  0.363155D+00
      2  -0.370249D+01 -0.215430D+01 -0.273471D+01 -0.382040D+01 -0.429291D+00
      3  -0.215430D+01  0.345798D+00  0.363155D+00 -0.429291D+00 -0.266892D+01
                46            47            48            49            50 
      1  -0.604134D+01  0.297831D+01 -0.199457D+01  0.223490D+01  0.176836D+01
      2   0.297831D+01  0.143455D+01  0.142814D-01  0.176836D+01 -0.260168D+01
      3  -0.199457D+01  0.142814D-01  0.260695D+01 -0.232077D+00 -0.463963D+00
                51            52            53            54            55 
      1  -0.232077D+00 -0.236190D+01 -0.682830D-01  0.227239D+01  0.432112D+01
      2  -0.463963D+00 -0.682830D-01 -0.628024D-02  0.417783D+01 -0.186365D+01
      3   0.366611D+01  0.227239D+01  0.417783D+01  0.294370D+01  0.233881D+01
                56            57            58            59            60 
      1  -0.186365D+01  0.233881D+01 -0.815634D+00  0.572699D+00 -0.386955D+00
      2   0.155445D+01 -0.247198D+00  0.572699D+00  0.365750D+01 -0.155989D+01
      3  -0.247198D+00  0.166760D+01 -0.386955D+00 -0.155989D+01 -0.116619D+01
                61            62            63            64            65 
      1   0.237154D+01 -0.455803D+00  0.162882D+01 -0.375945D+01  0.176419D+01
      2  -0.455803D+00 -0.193023D+01 -0.760905D+00  0.176419D+01 -0.179134D+01
      3   0.162882D+01 -0.760905D+00 -0.327031D+01  0.302788D+01 -0.775888D+00
                66            67            68            69            70 
      1   0.302788D+01  0.287632D+01 -0.124478D+01 -0.122127D+01  0.461520D+01
      2  -0.775888D+00 -0.124478D+01  0.377998D+01  0.173120D+01 -0.434862D+00
      3  -0.177541D+01 -0.122127D+01  0.173120D+01  0.248037D+01 -0.288925D+01
                71            72            73            74            75 
      1  -0.434862D+00 -0.288925D+01  0.274804D+00 -0.798493D+00 -0.962746D+00
      2   0.307086D+01  0.210084D+01 -0.798493D+00 -0.223947D+00 -0.312602D-01
      3   0.210084D+01  0.775132D+01 -0.962746D+00 -0.312602D-01 -0.580273D+00
                76            77            78            79            80 
      1  -0.117161D+01 -0.281695D+00 -0.179745D+00 -0.117849D+01  0.715504D-01
      2  -0.281695D+00 -0.925571D+00 -0.151944D+01  0.715504D-01 -0.178995D+01
      3  -0.179745D+00 -0.151944D+01 -0.190065D+01 -0.902150D+00 -0.150768D+01
                81            82            83            84            85 
      1  -0.902150D+00  0.307613D+01  0.148082D+01 -0.237530D+01  0.235099D+01
      2  -0.150768D+01  0.148082D+01  0.164618D+01 -0.632783D+00  0.158140D+01
      3  -0.723861D+01 -0.237530D+01 -0.632783D+00  0.249713D+01 -0.812094D+00
                86            87            88            89            90 
      1   0.158140D+01 -0.812094D+00 -0.335219D+01 -0.624544D+00  0.256663D+01
      2   0.142340D+01 -0.141160D+01 -0.624544D+00 -0.177354D+01  0.172920D+01
      3  -0.141160D+01  0.190632D+01  0.256663D+01  0.172920D+01 -0.383932D+01
                91            92            93            94            95 
      1  -0.481549D+01 -0.318808D+01  0.139887D+01 -0.203250D+01 -0.200705D+01
      2  -0.318808D+01 -0.334351D+01  0.988495D+00 -0.200705D+01 -0.328538D+01
      3   0.139887D+01  0.988495D+00 -0.142796D+01  0.697104D+00  0.747911D+00
                96            97            98            99           100 
      1   0.697104D+00  0.312931D+01  0.232280D+01 -0.183689D+01 -0.466341D+01
      2   0.747911D+00  0.232280D+01  0.280246D+01 -0.153085D+01  0.284128D+01
      3  -0.974190D+00 -0.183689D+01 -0.153085D+01  0.166141D+01 -0.259628D+01
               101           102           103           104           105 
      1   0.284128D+01 -0.259628D+01  0.191401D+01 -0.147053D+01  0.731425D+00
      2  -0.256069D+01  0.146814D+01 -0.147053D+01  0.205289D+01 -0.856174D+00
      3   0.146814D+01 -0.213480D+01  0.731425D+00 -0.856174D+00  0.760470D+00
               106           107           108           109           110 
      1  -0.337063D+01  0.132562D+01 -0.196201D+01 -0.137930D+00  0.599003D+00
      2   0.132562D+01 -0.181967D+01  0.139089D+01  0.599003D+00 -0.468382D+00
      3  -0.196201D+01  0.139089D+01 -0.227825D+01  0.102795D+00 -0.450935D+00
               111           112           113           114           115 
      1   0.102795D+00  0.902692D+00 -0.413529D+00 -0.522388D+00  0.127369D+01
      2  -0.450935D+00 -0.413529D+00  0.257758D+01  0.102081D+01 -0.492920D+00
      3   0.155971D-01 -0.522388D+00  0.102081D+01  0.190383D+01 -0.128840D+00
               116           117           118           119           120 
      1  -0.492920D+00 -0.128840D+00 -0.563481D-01 -0.781066D+00 -0.732775D+00
      2   0.309507D+01  0.158533D+01 -0.781066D+00 -0.933230D+00 -0.471429D+00
      3   0.158533D+01  0.351890D+01 -0.732775D+00 -0.471429D+00 -0.111907D+01
               121           122           123           124           125 
      1  -0.705593D+00 -0.286540D+00 -0.950285D-01 -0.126660D+01  0.141483D+00
      2  -0.286540D+00 -0.232944D+01 -0.191600D+01  0.141483D+00 -0.332849D+01
      3  -0.950285D-01 -0.191600D+01 -0.234326D+01 -0.517113D+00 -0.325909D+01
               126           127           128           129           130 
      1  -0.517113D+00  0.883211D+01 -0.329825D+01  0.822380D+00 -0.164417D+01
      2  -0.325909D+01 -0.329825D+01  0.272881D+01 -0.108087D+00  0.154525D+01
      3  -0.619507D+01  0.822380D+00 -0.108087D+00  0.115480D+01 -0.944680D-01
               131           132           133           134           135 
      1   0.154525D+01 -0.944680D-01  0.125101D+01 -0.454435D+00  0.922717D+00
      2  -0.115798D+01  0.212337D+00 -0.454435D+00  0.594906D+00 -0.871744D+00
      3   0.212337D+00 -0.511358D+00  0.922717D+00 -0.871744D+00  0.174230D+00
               136           137           138           139           140 
      1  -0.162242D+01 -0.103454D+01  0.116695D+01 -0.114635D+01 -0.887892D+00
      2  -0.103454D+01 -0.203971D+01  0.721431D+00 -0.887892D+00 -0.285694D+01
      3   0.116695D+01  0.721431D+00 -0.164689D+01  0.487662D+00  0.135118D+01
               141           142           143           144           145 
      1   0.487662D+00  0.168596D+01  0.434222D+00 -0.112548D+01  0.544821D+00
      2   0.135118D+01  0.434222D+00  0.277129D+01 -0.202996D+01  0.823277D+00
      3  -0.170563D+01 -0.112548D+01 -0.202996D+01  0.257855D+01  0.377464D+00
               146           147           148           149           150 
      1   0.823277D+00  0.377464D+00  0.150800D+01  0.293905D+00  0.530011D+00
      2  -0.128073D+00 -0.114846D-01  0.293905D+00  0.833234D+01  0.150528D+01
      3  -0.114846D-01 -0.345251D+00  0.530011D+00  0.150528D+01  0.180359D+01
               151           152           153           154           155 
      1   0.987624D-01  0.716122D-01 -0.308086D+00 -0.174729D+01 -0.763403D+00
      2   0.716122D-01  0.603170D+00  0.768000D+00 -0.763403D+00 -0.112152D+01
      3  -0.308086D+00  0.768000D+00  0.330088D+00  0.136661D+01  0.382305D+00
               156           157           158           159           160 
      1   0.136661D+01 -0.116104D+01 -0.615886D+00  0.248828D+00  0.172232D+01
      2   0.382305D+00 -0.615886D+00 -0.525078D+00  0.102832D+01  0.335821D+00
      3  -0.267163D+01  0.248828D+00  0.102832D+01 -0.204360D+01 -0.123886D+01
               161           162           163           164           165 
      1   0.335821D+00 -0.123886D+01  0.882660D+01 -0.607153D+00  0.324515D+01
      2   0.115509D+01 -0.899218D+00 -0.607153D+00  0.134631D+01 -0.315006D-02
      3  -0.899218D+00  0.481616D+01  0.324515D+01 -0.315006D-02  0.231512D+01
               166           167           168           169           170 
      1  -0.147736D+01  0.102665D+01 -0.530845D+00  0.193350D+01 -0.119125D+00
      2   0.102665D+01  0.834866D-01  0.457193D+00 -0.119125D+00  0.252592D+00
      3  -0.530845D+00  0.457193D+00 -0.880375D+00  0.157790D+01 -0.394473D+00
               171 
      1   0.157790D+01
      2  -0.394473D+00
      3   0.146605D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.568530D+01  0.146606D+01 -0.110206D+01  0.370344D+00 -0.999061D+01
      2   0.723176D+00 -0.231967D+01  0.124662D+02 -0.252491D+01 -0.298490D+01
      3  -0.826174D+01 -0.293120D+01 -0.305073D+01  0.179448D+01  0.119697D+02
                 6             7             8             9            10 
      1  -0.659476D+01 -0.137474D+01 -0.690083D+00  0.331148D+01  0.128909D+01
      2   0.468631D+01  0.682266D+01  0.573438D+01 -0.245495D+01  0.987122D+01
      3   0.158924D+01 -0.213800D+01 -0.111291D-01 -0.371340D+01  0.445859D+01
                11            12            13            14            15 
      1  -0.213459D+00 -0.372784D+00 -0.139646D+01 -0.641416D+00 -0.340540D+01
      2   0.455442D-01  0.292790D+00 -0.308251D+01  0.917369D+00 -0.373022D+01
      3  -0.914270D+00 -0.190190D+01  0.526196D+01 -0.628069D+01  0.669336D+00
                16            17            18            19            20 
      1  -0.577294D+00  0.294939D+01  0.120468D+01 -0.303838D+01 -0.261458D+01
      2  -0.347095D+01 -0.404405D+01 -0.268388D+01 -0.531635D+01  0.678954D+00
      3   0.247966D+01  0.377891D+00  0.460329D+01 -0.293365D+00 -0.202232D+01
                21            22            23            24            25 
      1  -0.665311D+00 -0.100297D+01  0.376699D+01 -0.234381D+01  0.399020D+00
      2   0.125604D+01  0.996089D+00 -0.889539D+00  0.207147D+01 -0.943320D+01
      3   0.179092D+01  0.233060D+01 -0.140504D+01  0.147302D+01 -0.155726D+01
                26            27            28            29            30 
      1   0.347057D+01 -0.468138D+01  0.122631D+01  0.521238D+01  0.224382D+01
      2  -0.130797D+00 -0.182116D+00 -0.948884D+01 -0.309583D+01  0.212695D+01
      3   0.827157D+00  0.638229D+00 -0.823756D+01 -0.376039D+01  0.280693D+00
                31            32            33            34            35 
      1   0.217676D+01 -0.652739D+01 -0.106285D+01  0.943418D+00  0.294098D+00
      2   0.256799D+01  0.243042D+01 -0.133171D+01 -0.407334D+01 -0.164809D+01
      3   0.190924D+01  0.451449D+01 -0.509051D+01 -0.605701D+01 -0.116817D+02
                36            37            38            39            40 
      1   0.452412D+01 -0.275130D+01 -0.592687D+00 -0.413787D-01 -0.343915D+00
      2   0.113172D+02  0.464117D+01  0.345343D+01 -0.121644D+00 -0.978665D+00
      3  -0.162275D+00 -0.967041D+00  0.588805D+00  0.485479D+00  0.604737D+01
                41            42            43            44            45 
      1   0.483701D+00 -0.502602D+01  0.309337D+01  0.386520D+01 -0.501673D+01
      2   0.275229D+01  0.925437D+00 -0.440319D+01  0.103040D+01  0.526233D+01
      3  -0.670302D+01 -0.177950D+01  0.199992D+01 -0.115809D+01 -0.291014D+01
                46            47            48            49            50 
      1  -0.489251D+01 -0.701203D+00  0.506317D+01 -0.109045D+01  0.969265D+00
      2  -0.607561D+01  0.639599D+00  0.553079D+01  0.178663D+00  0.907173D-01
      3   0.555549D+01 -0.125645D+02  0.355449D+01 -0.604646D+01  0.179387D+01
                51            52            53            54            55 
      1   0.554550D+01  0.322314D+01  0.115147D+02  0.464217D+01 -0.365438D+01
      2   0.597457D+01  0.104496D+01  0.724017D+01  0.555096D+01  0.521950D+01
      3   0.100096D+01  0.431366D+01  0.226587D+00 -0.119451D+02  0.938155D+01
                56            57            58            59            60 
      1   0.195305D+00 -0.513303D+01 -0.174319D-01 -0.194134D+01  0.123747D+00
      2  -0.115505D+01  0.492324D+01  0.307420D+00  0.184404D+01 -0.299115D+00
      3  -0.980714D+01  0.614816D+01  0.214531D+01  0.309073D+01 -0.966745D+00
                61            62            63            64            65 
      1  -0.477725D+01  0.936229D+01  0.922478D+01  0.391540D+00 -0.404764D+01
      2  -0.127598D+00  0.860143D+00  0.184892D+01  0.815501D-01  0.199115D+01
      3   0.358262D+01 -0.146627D+01  0.415148D+01  0.317149D+01 -0.565540D+01
                66            67            68            69            70 
      1   0.413721D+00 -0.694992D+00  0.380465D+01 -0.176814D+01 -0.856450D-01
      2   0.518040D+01  0.129278D+00 -0.448244D+01 -0.221572D+01 -0.263652D+01
      3  -0.121885D+01  0.197671D+01  0.532485D+01  0.430122D+01  0.492882D+01
                71            72            73            74            75 
      1   0.745835D+01 -0.293210D+00  0.126419D+01  0.475862D+00  0.346182D+00
      2  -0.305106D+01 -0.137001D+02 -0.442130D-02 -0.617590D+00 -0.525700D-01
      3   0.877509D+01  0.257146D+01 -0.194761D-01 -0.118265D+01 -0.803221D+00
                76            77            78            79            80 
      1   0.227244D+00  0.221203D+01  0.102979D+01 -0.126106D+00  0.488815D+01
      2  -0.172615D+01 -0.100356D+00 -0.111695D+00 -0.312667D+01  0.377615D+00
      3   0.134565D+01 -0.449169D+00 -0.691323D+00  0.421658D+00 -0.531867D+00
                81            82            83            84            85 
      1   0.281059D+01 -0.607380D+00 -0.158093D+01 -0.347010D+00 -0.394441D+00
      2  -0.648031D-01 -0.107436D+01  0.514611D-02  0.389646D+01  0.166338D+01
      3  -0.978645D+00 -0.138333D+01 -0.390973D+01  0.587664D+00  0.603559D+00
                86            87            88            89            90 
      1  -0.917756D+00 -0.874633D+00 -0.162660D+00  0.245681D+01 -0.115168D+00
      2  -0.955107D+00  0.284747D+01 -0.120070D+01  0.221568D+01 -0.430926D+01
      3  -0.238719D+01  0.168751D+01 -0.117174D+01  0.314940D+01 -0.171716D+01
                91            92            93            94            95 
      1   0.294325D+01  0.171863D+01 -0.300528D+01  0.223143D+01  0.227287D+01
      2  -0.255236D+01 -0.266370D+01  0.345557D+01 -0.171467D+01 -0.232156D+01
      3   0.183625D+01 -0.262785D+01 -0.673050D+00  0.988824D+00 -0.225910D+01
                96            97            98            99           100 
      1  -0.205008D+01 -0.267341D+01 -0.131952D+01  0.308284D+01  0.289843D+01
      2   0.245276D+01  0.255079D+01  0.277848D+01 -0.433007D+01 -0.524979D+01
      3   0.283675D+00 -0.966651D+00  0.279963D+01 -0.400100D+00 -0.102368D+02
               101           102           103           104           105 
      1   0.109734D+00  0.404460D+01 -0.239667D+00 -0.300604D+00 -0.141528D+01
      2   0.206627D+01 -0.319493D+00  0.179436D+01 -0.124244D+01  0.137554D+00
      3   0.368932D+01 -0.549863D+01  0.512381D+01 -0.211719D+01  0.141887D+01
               106           107           108           109           110 
      1   0.285931D+01  0.890448D-03  0.278358D+01 -0.100279D+01  0.115484D+01
      2  -0.388134D+01  0.834629D+00 -0.816804D+00 -0.772337D-01  0.429393D+00
      3  -0.779474D+01  0.178895D+01 -0.382774D+01 -0.148046D+00 -0.198942D+00
               111           112           113           114           115 
      1   0.772194D+00  0.153688D+01 -0.492661D+01 -0.610981D+01  0.116157D+01
      2  -0.139113D-01  0.569889D+00 -0.948481D+00 -0.116225D+01 -0.129794D+01
      3   0.759129D+00  0.210939D+01 -0.619591D+00 -0.538405D+00  0.426019D+01
               116           117           118           119           120 
      1  -0.517228D+01 -0.123501D+02 -0.687500D+00  0.334810D+00 -0.237107D+01
      2  -0.120589D+01 -0.140806D+01 -0.171930D+01 -0.947660D+00 -0.142031D+01
      3   0.186842D+00 -0.127024D+00  0.237097D+01  0.209281D+01  0.186242D+01
               121           122           123           124           125 
      1  -0.538386D-02 -0.171660D+01 -0.492296D+01 -0.162541D+01 -0.127920D+01
      2  -0.112517D+01 -0.325814D+01 -0.375753D+01 -0.411622D+01 -0.465803D+01
      3   0.333019D+01  0.423322D+01  0.365769D+01  0.314699D+01  0.518710D+01
               126           127           128           129           130 
      1  -0.104041D+02  0.291704D+01 -0.864792D+00  0.292842D+01 -0.940774D+00
      2  -0.986281D+01  0.447573D+01 -0.111621D+01  0.498881D+01 -0.606385D+00
      3   0.702243D+01 -0.105300D+02 -0.246536D+01 -0.157727D+01  0.210631D+01
               131           132           133           134           135 
      1   0.805200D+00 -0.195390D+01  0.140115D+01 -0.607559D+00  0.859663D+00
      2   0.115631D+01 -0.142375D+01  0.106078D+01 -0.158677D+01  0.987966D+00
      3  -0.455287D+00 -0.334200D+00 -0.185900D+01 -0.829284D+00  0.499707D+00
               136           137           138           139           140 
      1   0.275270D+01  0.123983D+01 -0.418644D+01  0.152602D+01  0.311381D+01
      2   0.268590D+01  0.893251D+00 -0.153618D+01  0.117143D+01  0.202484D+01
      3   0.706842D+01  0.455207D+01 -0.386013D+01  0.595211D+01  0.622555D+01
               141           142           143           144           145 
      1  -0.521933D+01 -0.264306D+01 -0.242425D+01  0.611948D+01  0.755926D+00
      2  -0.225297D+01 -0.360384D+01 -0.303804D+01  0.343380D+01  0.102659D+01
      3  -0.391336D+01 -0.535249D+01 -0.506891D+01  0.605183D+01 -0.127084D+01
               146           147           148           149           150 
      1  -0.949643D+00  0.756023D+00 -0.121696D+01  0.111786D+02 -0.279160D+01
      2  -0.900069D+00 -0.516162D+00 -0.174891D+01  0.328942D+01  0.272665D+01
      3   0.584907D+00 -0.969675D-02  0.424507D+01 -0.152967D+02 -0.139659D+01
               151           152           153           154           155 
      1   0.862019D+00  0.937104D+00  0.797586D+00 -0.228891D+01 -0.303125D+01
      2  -0.181097D+01  0.128601D+01  0.555072D+00  0.804797D+01  0.232435D+01
      3  -0.203081D+00 -0.577714D+00 -0.199948D+01  0.366018D+00  0.515966D+00
               156           157           158           159           160 
      1   0.190716D+01 -0.116569D+01 -0.192273D+01  0.143902D+01  0.183086D+01
      2  -0.598783D+01  0.303326D+01  0.282090D+01 -0.377882D+01 -0.768746D+01
      3   0.479198D+00  0.152930D+01  0.209073D+00 -0.136700D+01  0.381080D+00
               161           162           163           164           165 
      1   0.441754D+01 -0.437644D+01 -0.320060D+01  0.268872D+01 -0.125093D+01
      2  -0.264039D+01  0.102584D+02 -0.593910D+01  0.115903D+01  0.318489D+01
      3  -0.998070D+00  0.393766D+00  0.675691D+01 -0.577157D+01  0.177500D+01
               166           167           168           169           170 
      1   0.116503D+01 -0.592418D+00  0.664645D-01 -0.134579D+01  0.166517D+01
      2   0.109561D+01 -0.143336D+00 -0.175845D+01 -0.154801D+01 -0.736015D+00
      3  -0.181467D+01  0.993110D+00 -0.728496D+00  0.158538D+01 -0.995644D+00
               171 
      1  -0.125349D+01
      2   0.132277D+01
      3   0.184883D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258028D+02  0.909944D+01 -0.221770D+02  0.109419D+02  0.106221D+02
      2   0.220180D+02 -0.324351D+01  0.470041D+01 -0.544370D+01 -0.158462D+02
      3   0.378474D+01 -0.585593D+01  0.174765D+02 -0.549823D+01  0.522410D+01
      4   0.355970D+01  0.520831D+01 -0.144965D+01  0.470606D+01 -0.191073D+02
      5  -0.233386D+02  0.463652D+01 -0.332177D+01  0.640910D+01 -0.898396D+00
      6   0.228454D+01  0.267367D+01 -0.163323D+00  0.152161D+01 -0.102149D+02
                 6             7             8             9            10 
      1  -0.195623D+01 -0.173990D+02 -0.303009D+01  0.578182D+01  0.726778D+01
      2  -0.785334D+01  0.378060D+01 -0.572470D+01 -0.114230D+01 -0.279150D+01
      3   0.980957D+01  0.136184D+02  0.875479D+01 -0.463952D+01 -0.447628D+01
      4  -0.207430D+01 -0.648097D+00  0.126283D+00  0.105433D+02 -0.112629D+02
      5   0.649310D+01 -0.755020D+00  0.793386D+01  0.632924D+01  0.152559D+02
      6   0.943027D+00  0.152319D+01  0.776145D+00  0.759222D+01  0.520064D+01
                11            12            13            14            15 
      1  -0.113656D+02  0.122254D+02 -0.903928D+01 -0.228428D+01  0.271954D+01
      2   0.105245D+02 -0.728311D+01  0.979125D+01 -0.329303D+01 -0.125170D+01
      3   0.841066D+00 -0.494228D+01 -0.751965D+00  0.557731D+01 -0.146784D+01
      4  -0.201145D+01  0.213678D+01 -0.516605D+01  0.972648D+01  0.429805D+01
      5   0.254107D+01 -0.951652D+01  0.326922D+00  0.672628D+01 -0.113759D+02
      6  -0.838926D+00 -0.620666D+00  0.126812D+01 -0.191981D+01 -0.168731D+01
                16            17            18            19            20 
      1   0.102893D+02  0.125229D+01 -0.111546D+02 -0.939092D+01 -0.610361D+01
      2  -0.662311D+01 -0.232337D+01  0.799253D+01  0.761087D+01  0.756694D+01
      3  -0.366616D+01  0.107108D+01  0.316208D+01  0.178004D+01 -0.146333D+01
      4  -0.614685D+00  0.343270D+00 -0.116976D+02  0.136244D+01 -0.140428D+01
      5  -0.108940D+02 -0.120838D+02  0.180531D+01 -0.567584D+01 -0.642939D+00
      6  -0.258546D+01  0.284696D+00  0.118195D+01 -0.670969D+01 -0.497131D+01
                21            22            23            24            25 
      1   0.348055D+01  0.280647D+01  0.807343D+01  0.223720D+01 -0.744686D-01
      2   0.111939D+01 -0.453448D+00 -0.915291D+01  0.581201D+01  0.148077D+01
      3  -0.459994D+01 -0.235302D+01  0.107948D+01 -0.804921D+01 -0.140630D+01
      4  -0.261602D+00 -0.776114D+01 -0.155559D+01  0.144794D+01  0.385904D+01
      5   0.982258D+00  0.423303D+01 -0.988305D+00  0.585166D+00  0.216022D+01
      6   0.241541D+01  0.166667D+01  0.771123D+01 -0.666024D+01 -0.181084D-01
                26            27            28            29            30 
      1   0.658819D+01  0.687619D+01 -0.122357D+01  0.252461D+01 -0.122965D+01
      2   0.290806D+01  0.100221D+02  0.134319D+01 -0.472825D+01 -0.651768D+01
      3  -0.949625D+01 -0.168983D+02 -0.119616D+00  0.220364D+01  0.774733D+01
      4   0.835472D+00 -0.130181D+01  0.247836D+01 -0.302686D+01 -0.727717D+01
      5  -0.127555D+01 -0.478689D+01  0.575249D+01 -0.658830D+01 -0.423206D+01
      6   0.196123D+01 -0.549750D+01 -0.285121D+01 -0.177809D+00  0.824538D+00
                31            32            33            34            35 
      1   0.510729D+01  0.461262D+01 -0.631047D+01  0.972452D+01 -0.387265D+01
      2  -0.627610D+01 -0.996522D+01  0.991140D+01 -0.912158D+01 -0.157583D+01
      3   0.116881D+01  0.535260D+01 -0.360093D+01 -0.602942D+00  0.544848D+01
      4  -0.519733D+01 -0.261086D+01 -0.396229D+01 -0.111249D+02  0.580155D+01
      5  -0.174325D+02 -0.360078D+01  0.405365D+01 -0.112111D+02  0.414484D+01
      6  -0.447303D+01 -0.724023D+01 -0.140954D+01 -0.426224D+00 -0.300745D+01
                36            37            38            39            40 
      1  -0.103537D+01 -0.618494D+00  0.263577D+00  0.796875D+01 -0.208891D+01
      2   0.888296D+01 -0.661897D+00 -0.137572D+01 -0.213097D+01  0.186531D+01
      3  -0.784759D+01  0.128039D+01  0.111214D+01 -0.583778D+01  0.223597D+00
      4   0.574009D+01 -0.515166D+01 -0.111939D+01  0.108884D+02  0.693338D+01
      5   0.182302D+02  0.117316D+02  0.739165D+01  0.218038D+01  0.104919D+02
      6  -0.327284D+01  0.781371D+01  0.676819D+01 -0.133634D+01  0.649760D+01
                41            42            43            44            45 
      1  -0.148639D+02  0.301749D+01  0.118437D+02  0.511797D+01 -0.441651D+01
      2   0.254346D+02  0.441175D+00 -0.208418D+01  0.381174D+01 -0.687165D+00
      3  -0.105707D+02 -0.345866D+01 -0.975955D+01 -0.892970D+01  0.510367D+01
      4   0.122189D+02  0.940040D+01  0.178199D+02  0.157161D+02 -0.228066D+00
      5   0.101679D+02  0.288823D+01  0.324170D+01  0.317015D+01  0.111337D+02
      6   0.859738D+01  0.685582D+01 -0.125021D+01  0.676136D+01  0.871770D+01
                46            47            48            49            50 
      1  -0.251651D+02  0.200304D+02 -0.815806D+01  0.135111D+02  0.112329D+01
      2   0.617232D+01 -0.139721D+02  0.709381D+01 -0.112526D+02  0.919928D+01
      3   0.189928D+02 -0.605828D+01  0.106425D+01 -0.225851D+01 -0.103226D+02
      4   0.250278D+02 -0.608825D+01  0.616463D+01 -0.281462D+01 -0.118857D+02
      5  -0.517852D+01  0.590650D+00  0.818303D+01  0.901979D-01 -0.349218D+01
      6   0.522364D+01  0.157773D+01 -0.104797D+02  0.365296D+00  0.266331D+01
                51            52            53            54            55 
      1   0.112505D+01 -0.936910D+01  0.250479D+01  0.200440D+02  0.826688D+01
      2   0.445292D+01  0.678708D+01  0.440069D+01 -0.134893D+02 -0.374011D+01
      3  -0.557798D+01  0.258202D+01 -0.690548D+01 -0.655471D+01 -0.452677D+01
      4  -0.707028D+00  0.710870D+01  0.976625D+00  0.370912D+01  0.146620D+02
      5   0.984196D+01  0.747679D+01  0.105793D+02  0.809016D+01 -0.938220D+01
      6  -0.133052D+02 -0.750298D+01 -0.155197D+02 -0.109518D+02  0.112316D+02
                56            57            58            59            60 
      1   0.141927D+01 -0.275660D+01 -0.141461D+01 -0.179234D+02  0.545477D+01
      2   0.175281D+01  0.432229D+01  0.387430D+01  0.279302D+02 -0.976422D+01
      3  -0.317208D+01 -0.156569D+01 -0.245969D+01 -0.100068D+02  0.430945D+01
      4  -0.435105D+01  0.837950D+01  0.271735D+01  0.512631D+01 -0.125750D+01
      5   0.498056D+01 -0.323774D+01  0.136867D+01 -0.146987D+01  0.843827D+00
      6  -0.303042D+01  0.714278D+01 -0.343524D+01 -0.149858D+02  0.351705D+01
                61            62            63            64            65 
      1  -0.267106D+00  0.790414D+01 -0.614253D+01  0.224092D+02 -0.345068D+01
      2   0.396824D+01 -0.105981D+02 -0.872316D+01 -0.161910D+02  0.210230D+01
      3  -0.370114D+01  0.269399D+01  0.148657D+02 -0.621823D+01  0.134839D+01
      4   0.668592D+01  0.989033D+00  0.815839D+01 -0.858018D+01  0.129443D+02
      5  -0.117552D+01  0.332421D+01 -0.343635D+01 -0.171647D+02  0.647561D+01
      6   0.817572D+01  0.865390D+00 -0.140319D+02  0.314000D+01 -0.228510D+01
                66            67            68            69            70 
      1  -0.919810D+01 -0.777711D+01 -0.226689D+01  0.157302D+01 -0.108616D+02
      2   0.108897D+02  0.524952D+01  0.375976D+01 -0.563566D+01  0.107979D+02
      3  -0.169156D+01  0.252758D+01 -0.149287D+01  0.406263D+01  0.637364D-01
      4   0.546021D+01  0.114802D+02 -0.122242D+02 -0.749074D+01  0.605112D+01
      5   0.162611D+02  0.919444D+01 -0.728926D+01 -0.773901D+01  0.217247D+02
      6  -0.316760D+01 -0.332058D+01  0.458026D+01  0.990330D+01 -0.152828D+01
                71            72            73            74            75 
      1  -0.224589D+01 -0.336995D+01  0.653023D+00  0.578507D+00 -0.209032D+00
      2  -0.128567D+01 -0.222760D+02 -0.435085D+01 -0.947412D+00 -0.189148D+01
      3   0.353156D+01  0.256459D+02  0.369783D+01  0.368905D+00  0.210051D+01
      4  -0.123522D+02 -0.949138D+01  0.163207D+00  0.190087D+01  0.352385D+00
      5  -0.715132D+01 -0.300487D+02  0.225241D+01  0.130345D+01  0.650553D+01
      6   0.910302D+01  0.696820D+01  0.140744D+01  0.236712D+00  0.335902D+00
                76            77            78            79            80 
      1   0.371209D+00 -0.414683D+01 -0.448662D+01 -0.995215D+00 -0.258859D+01
      2  -0.873613D+00 -0.821952D+00 -0.352876D+01 -0.164987D+01 -0.431095D+01
      3   0.502404D+00  0.496879D+01  0.801538D+01  0.264509D+01  0.689954D+01
      4   0.210530D+01  0.327243D+00  0.423841D+00  0.202635D+00  0.819423D+00
      5   0.560814D+00  0.682801D+00  0.178543D+01  0.541028D+01  0.108635D+01
      6   0.398769D+00  0.360223D+01  0.696291D+01 -0.527852D-01  0.625127D+01
                81            82            83            84            85 
      1  -0.169222D+02  0.165767D+02  0.595011D+01 -0.921412D+01  0.603734D+01
      2  -0.163097D+02 -0.111230D+02 -0.425076D+01  0.729417D+01 -0.353597D+01
      3   0.332319D+02 -0.545369D+01 -0.169934D+01  0.191996D+01 -0.250136D+01
      4   0.283461D+00  0.899501D+01  0.854927D+01 -0.445556D+01  0.909260D+01
      5   0.557352D+01 -0.153129D+02 -0.486114D+01  0.145708D+02 -0.533542D+01
      6   0.356223D+01 -0.352977D+01 -0.256180D+01  0.300768D+01 -0.360501D+01
                86            87            88            89            90 
      1   0.263755D+01 -0.198211D+01 -0.808116D+01 -0.138863D+01  0.428352D+01
      2  -0.104395D+00  0.130184D+01  0.829179D+01  0.306196D+01 -0.109971D+02
      3  -0.253315D+01  0.680272D+00 -0.210628D+00 -0.167333D+01  0.671357D+01
      4   0.719714D+01 -0.632447D+01 -0.404585D+01 -0.608286D+01  0.685541D+01
      5  -0.657350D+01  0.793196D+01  0.151953D+02  0.725902D+01 -0.184835D+02
      6  -0.450011D+01  0.598873D+01  0.329908D+01  0.528584D+01 -0.588873D+01
                91            92            93            94            95 
      1   0.194496D+02  0.990849D+01 -0.584222D+01  0.381763D+01  0.202609D+01
      2  -0.540527D+01  0.382459D-01  0.172392D+01  0.257337D+01  0.626845D+01
      3  -0.140443D+02 -0.994673D+01  0.411830D+01 -0.639100D+01 -0.829454D+01
      4   0.213977D+02  0.178647D+02 -0.647043D+01  0.125610D+02  0.148882D+02
      5  -0.712826D+01 -0.449263D+01  0.648483D+01 -0.251787D+01 -0.289648D+01
      6  -0.497670D+01 -0.337080D+01  0.364057D+01 -0.256177D+01 -0.357446D+01
                96            97            98            99           100 
      1  -0.474783D+00 -0.936827D+01 -0.443954D+01  0.319385D+01  0.330227D+01
      2  -0.154377D+01  0.257581D+01 -0.170720D+01 -0.895343D+00 -0.247276D+00
      3   0.201855D+01  0.679246D+01  0.614674D+01 -0.229851D+01 -0.305499D+01
      4  -0.439846D+01 -0.141766D+02 -0.135530D+02  0.875924D+01 -0.195664D+02
      5   0.317658D+01  0.899523D+01  0.683285D+01 -0.740639D+01  0.138893D+02
      6   0.364176D+01  0.664113D+01  0.704277D+01 -0.654943D+01 -0.134095D+02
               101           102           103           104           105 
      1   0.221786D+01 -0.528685D+00  0.784710D+00 -0.319419D+01  0.156926D+01
      2  -0.565760D+01 -0.122983D+01 -0.381619D+01  0.688461D+01 -0.245523D+01
      3   0.343974D+01  0.175851D+01  0.303148D+01 -0.369042D+01  0.885968D+00
      4   0.153126D+02 -0.113255D+02  0.116735D+02 -0.746962D+01  0.391345D+01
      5  -0.832605D+01  0.108909D+02 -0.463424D+01  0.419328D+01 -0.215701D+01
      6   0.995516D+01 -0.108170D+02  0.570893D+01 -0.651779D+01  0.582598D+01
               106           107           108           109           110 
      1  -0.154649D+00  0.284054D+01 -0.283019D+01 -0.909722D+00  0.547730D-01
      2  -0.204785D+01 -0.223325D+01 -0.181153D+01  0.152798D+01 -0.290462D+01
      3   0.220250D+01 -0.607290D+00  0.464172D+01 -0.618254D+00  0.284985D+01
      4  -0.125095D+02  0.530993D+01 -0.759819D+01 -0.124558D+01  0.418558D+01
      5   0.109780D+02 -0.470933D+01  0.791623D+01 -0.183086D+00 -0.911836D+00
      6  -0.908982D+01  0.858003D+01 -0.971011D+01 -0.304918D+00 -0.210664D+01
               111           112           113           114           115 
      1   0.175401D+01 -0.595703D+00 -0.620388D+01 -0.128029D+01  0.288245D-01
      2  -0.212837D+01 -0.193762D+01  0.126085D+02  0.700617D+01 -0.220094D+01
      3   0.374356D+00  0.253332D+01 -0.640465D+01 -0.572588D+01  0.217212D+01
      4   0.232807D-01  0.502662D+01 -0.357104D+01 -0.285460D+01  0.393108D+01
      5   0.214667D+01 -0.737338D+00 -0.126750D+01 -0.108708D+01  0.674931D+00
      6   0.183550D+00 -0.218074D+01  0.422748D+01  0.954430D+01 -0.755912D+00
               116           117           118           119           120 
      1  -0.690166D+01 -0.283408D+01  0.260842D-01 -0.573803D+01 -0.397872D+01
      2   0.141357D+02  0.879772D+01  0.805124D-01  0.473653D+01  0.117223D+01
      3  -0.723406D+01 -0.596364D+01 -0.106597D+00  0.100150D+01  0.280649D+01
      4  -0.463150D+01 -0.167305D+01 -0.137292D+01  0.177292D+01  0.176596D+01
      5  -0.899211D+00 -0.205184D+01 -0.578145D+00  0.291954D+00  0.704883D+00
      6   0.740250D+01  0.145669D+02  0.285235D+01  0.275445D+01  0.504689D+01
               121           122           123           124           125 
      1  -0.320087D+01 -0.102279D+02 -0.778301D+01 -0.424663D+01 -0.105940D+02
      2   0.233982D+01  0.107235D+02  0.652218D+01  0.124202D+01  0.892208D+01
      3   0.861051D+00 -0.495665D+00  0.126083D+01  0.300461D+01  0.167191D+01
      4   0.353954D+01 -0.444574D+01 -0.395954D+01  0.528776D+01 -0.795384D+01
      5   0.101274D+01 -0.487375D+01 -0.664169D+01  0.330270D+01 -0.930586D+01
      6   0.954198D+00  0.113857D+02  0.147320D+02  0.171916D+01  0.178864D+02
               126           127           128           129           130 
      1  -0.179850D+02  0.475242D+02 -0.118635D+02  0.398751D+01 -0.564575D+01
      2   0.162976D+01 -0.178861D+02 -0.152386D+01 -0.176897D+01 -0.211000D+01
      3   0.163552D+02 -0.296382D+02  0.133874D+02 -0.221854D+01  0.775575D+01
      4  -0.563553D+01 -0.374860D+02  0.224010D+02 -0.265312D+01  0.151754D+02
      5  -0.170255D+02  0.426714D+00  0.550262D+00  0.819291D+01  0.136664D+00
      6   0.259167D+02 -0.176711D+01 -0.315412D+00 -0.452802D+01  0.639150D-01
               131           132           133           134           135 
      1   0.496830D+01 -0.693620D-01  0.592641D+01 -0.147975D+01  0.259389D+01
      2   0.236400D+01 -0.100994D+01 -0.232217D+01 -0.132485D+01 -0.123419D+01
      3  -0.733231D+01  0.107930D+01 -0.360424D+01  0.280460D+01 -0.135970D+01
      4  -0.992247D+01  0.141982D+01 -0.569667D+01  0.375264D+01 -0.453701D+01
      5   0.638865D+00 -0.201890D+01  0.705019D+01 -0.365374D+01  0.156928D+01
      6  -0.536307D+00  0.342264D+01 -0.308332D+01  0.426010D+01 -0.489441D+00
               136           137           138           139           140 
      1  -0.222635D+01 -0.894859D+01  0.502823D+01 -0.655371D+01 -0.115703D+02
      2   0.391783D+01  0.106561D+02 -0.419783D+01  0.667862D+01  0.166038D+02
      3  -0.169149D+01 -0.170755D+01 -0.830400D+00 -0.124914D+00 -0.503347D+01
      4   0.324444D+01  0.901268D+00 -0.303489D+01  0.431361D+01 -0.192157D+01
      5   0.116648D+01  0.721904D+00 -0.252278D+01  0.992374D+00  0.274407D+01
      6  -0.454870D+01 -0.394816D+01  0.714937D+01 -0.296174D+01 -0.758931D+01
               141           142           143           144           145 
      1   0.571769D+01  0.600607D+01  0.844368D+01 -0.111385D+02  0.188207D+01
      2  -0.812188D+01 -0.407445D+01 -0.120234D+02  0.722136D+01  0.971258D-01
      3   0.240419D+01 -0.193162D+01  0.357968D+01  0.391715D+01 -0.197920D+01
      4   0.115484D+00 -0.558257D+01  0.364314D+01 -0.218044D-01  0.265144D+01
      5  -0.424087D+01 -0.937151D+00 -0.452219D+01  0.500904D+01  0.238105D+01
      6   0.971120D+01  0.476185D+01  0.109914D+02 -0.111625D+02  0.807990D+00
               146           147           148           149           150 
      1   0.281232D+01  0.281159D+01  0.426670D+01 -0.152735D+02 -0.346703D+01
      2  -0.154086D+01 -0.640657D+00 -0.186867D+01  0.275305D+02  0.112498D+01
      3  -0.127146D+01 -0.217093D+01 -0.239803D+01 -0.122570D+02  0.234206D+01
      4   0.442834D+01  0.362405D+00  0.761599D+01  0.274652D+02  0.606857D+01
      5   0.120176D+01  0.129411D+01  0.418497D+01  0.440335D+01  0.566104D+01
      6  -0.585237D+00 -0.315437D+00  0.175718D+01  0.191198D+02  0.963270D+01
               151           152           153           154           155 
      1   0.583182D+00 -0.287262D+01 -0.419954D+01 -0.312073D+01 -0.266632D+01
      2   0.152804D+00  0.124825D+01  0.225086D+01 -0.281709D+01 -0.411461D+00
      3  -0.735986D+00  0.162437D+01  0.194868D+01  0.593782D+01  0.307778D+01
      4   0.781377D-01  0.161268D+01  0.175515D+01 -0.186079D+01 -0.230510D+01
      5   0.131347D+01  0.225970D+01  0.495223D+00 -0.217653D+01 -0.163637D+01
      6  -0.393254D+00  0.745389D+01  0.247574D+01 -0.154553D+01 -0.385536D+01
               156           157           158           159           160 
      1   0.107374D+02 -0.387592D+01 -0.535587D+01  0.480466D+01  0.905915D+01
      2   0.336217D+01  0.956834D+00  0.194133D+01  0.375398D+01  0.665783D+00
      3  -0.140996D+02  0.291908D+01  0.341454D+01 -0.855864D+01 -0.972493D+01
      4   0.120587D+01 -0.900572D+00 -0.643930D+00  0.202405D+01  0.220909D+01
      5  -0.373949D+00 -0.277247D+01  0.258892D+00 -0.360320D+01  0.443601D+01
      6   0.543778D+00 -0.220309D+01 -0.263259D+01  0.478747D+01  0.758746D+00
               161           162           163           164           165 
      1   0.336128D+01 -0.160722D+02  0.502727D+02 -0.370466D+01  0.133656D+02
      2   0.251775D+01 -0.104273D+02 -0.321403D+02  0.266954D+01 -0.129226D+02
      3  -0.587904D+01  0.264994D+02 -0.181324D+02  0.103512D+01 -0.442967D+00
      4   0.319295D+01 -0.317199D+01  0.374815D+01  0.841363D+01  0.192911D+01
      5  -0.581000D+00  0.528267D+01  0.318131D+02 -0.148551D+01  0.194786D+02
      6   0.521509D+01 -0.159448D+01 -0.318802D+00  0.408105D+01  0.113761D+01
               166           167           168           169           170 
      1  -0.796170D+01  0.353006D+01 -0.156917D+01  0.832266D+01  0.240116D+00
      2   0.525724D+01 -0.629840D+00  0.315865D+01 -0.865210D+01  0.940674D+00
      3   0.270445D+01 -0.290022D+01 -0.158947D+01  0.329434D+00 -0.118079D+01
      4   0.677883D+01 -0.827673D+00  0.246752D+01  0.116540D+01  0.145428D+01
      5  -0.557198D+01  0.353458D+01 -0.439731D+01  0.148929D+02 -0.164451D+01
      6   0.308910D+01 -0.435489D+00  0.226448D+01  0.571261D+00  0.198241D+01
               171 
      1   0.554667D+01
      2  -0.858507D+01
      3   0.303840D+01
      4  -0.447781D+00
      5   0.103549D+02
      6  -0.921830D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:38:36 2021, MaxMem=  5637144576 cpu:            8164.3 elap:            1023.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99817 -18.94241 -14.15680 -10.19935 -10.10685
 Alpha  occ. eigenvalues --  -10.07413 -10.04994 -10.04668  -1.22690  -1.13389
 Alpha  occ. eigenvalues --   -1.01891  -0.92159  -0.83141  -0.80546  -0.74289
 Alpha  occ. eigenvalues --   -0.67800  -0.64293  -0.60945  -0.60034  -0.59260
 Alpha  occ. eigenvalues --   -0.55491  -0.54871  -0.52582  -0.51040  -0.49611
 Alpha  occ. eigenvalues --   -0.48425  -0.44703  -0.44011  -0.43871  -0.43173
 Alpha  occ. eigenvalues --   -0.39428  -0.35912
 Alpha virt. eigenvalues --    0.02896   0.03946   0.04065   0.04546   0.05917
 Alpha virt. eigenvalues --    0.06337   0.06565   0.07450   0.07529   0.07849
 Alpha virt. eigenvalues --    0.08935   0.10061   0.10840   0.11989   0.12952
 Alpha virt. eigenvalues --    0.13408   0.13798   0.14205   0.14504   0.14927
 Alpha virt. eigenvalues --    0.15386   0.16314   0.17097   0.17255   0.18180
 Alpha virt. eigenvalues --    0.18871   0.19238   0.19768   0.19939   0.20331
 Alpha virt. eigenvalues --    0.20839   0.21619   0.22535   0.23835   0.24630
 Alpha virt. eigenvalues --    0.25426   0.25828   0.26352   0.27419   0.28591
 Alpha virt. eigenvalues --    0.28785   0.29809   0.30758   0.31048   0.31614
 Alpha virt. eigenvalues --    0.32094   0.32401   0.32845   0.33600   0.34199
 Alpha virt. eigenvalues --    0.34551   0.35255   0.37194   0.37715   0.38873
 Alpha virt. eigenvalues --    0.40019   0.41204   0.41557   0.41774   0.42355
 Alpha virt. eigenvalues --    0.43310   0.44369   0.44462   0.45187   0.45634
 Alpha virt. eigenvalues --    0.45893   0.47121   0.47477   0.47819   0.49186
 Alpha virt. eigenvalues --    0.49846   0.51026   0.51560   0.52338   0.53334
 Alpha virt. eigenvalues --    0.54243   0.54529   0.55514   0.55775   0.57012
 Alpha virt. eigenvalues --    0.57730   0.58811   0.58991   0.59549   0.60335
 Alpha virt. eigenvalues --    0.60846   0.61761   0.63099   0.64110   0.64388
 Alpha virt. eigenvalues --    0.66034   0.67090   0.67799   0.68459   0.69700
 Alpha virt. eigenvalues --    0.70019   0.70431   0.71219   0.72674   0.73652
 Alpha virt. eigenvalues --    0.74267   0.75289   0.75881   0.76280   0.77521
 Alpha virt. eigenvalues --    0.78068   0.78771   0.80267   0.80661   0.81977
 Alpha virt. eigenvalues --    0.84174   0.84695   0.85761   0.86286   0.87588
 Alpha virt. eigenvalues --    0.89043   0.90070   0.90298   0.91606   0.93198
 Alpha virt. eigenvalues --    0.94967   0.95873   0.97080   0.97556   1.01057
 Alpha virt. eigenvalues --    1.01321   1.03281   1.03580   1.04604   1.05998
 Alpha virt. eigenvalues --    1.07053   1.09329   1.09785   1.11812   1.14875
 Alpha virt. eigenvalues --    1.15682   1.17330   1.18635   1.20188   1.20299
 Alpha virt. eigenvalues --    1.23025   1.24421   1.24804   1.27753   1.28336
 Alpha virt. eigenvalues --    1.31036   1.32235   1.33802   1.35343   1.36341
 Alpha virt. eigenvalues --    1.38116   1.42563   1.45198   1.47344   1.48746
 Alpha virt. eigenvalues --    1.50584   1.52995   1.54626   1.57304   1.59886
 Alpha virt. eigenvalues --    1.61348   1.64317   1.66323   1.66681   1.68815
 Alpha virt. eigenvalues --    1.69361   1.71047   1.74769   1.76312   1.76988
 Alpha virt. eigenvalues --    1.79261   1.81159   1.81517   1.84216   1.85784
 Alpha virt. eigenvalues --    1.86858   1.88522   1.90438   1.91654   1.93134
 Alpha virt. eigenvalues --    1.93897   1.96666   1.98197   1.98492   1.99568
 Alpha virt. eigenvalues --    2.01045   2.04544   2.06846   2.07124   2.09585
 Alpha virt. eigenvalues --    2.11888   2.13627   2.14750   2.15187   2.17198
 Alpha virt. eigenvalues --    2.18288   2.21619   2.23583   2.25118   2.25818
 Alpha virt. eigenvalues --    2.27583   2.29035   2.30391   2.31705   2.31903
 Alpha virt. eigenvalues --    2.33330   2.33985   2.37572   2.38668   2.40429
 Alpha virt. eigenvalues --    2.41361   2.43010   2.45520   2.49400   2.52871
 Alpha virt. eigenvalues --    2.55461   2.58737   2.59626   2.61870   2.63763
 Alpha virt. eigenvalues --    2.65211   2.67728   2.70818   2.71863   2.74447
 Alpha virt. eigenvalues --    2.78368   2.80304   2.82371   2.91848   2.92422
 Alpha virt. eigenvalues --    2.93153   2.97244   3.00681   3.10767   3.13563
 Alpha virt. eigenvalues --    3.16487   3.21604   3.38333   3.40026   3.43188
 Alpha virt. eigenvalues --    3.45626   3.49090   3.50865   3.53528   3.54511
 Alpha virt. eigenvalues --    3.56437   3.61363   3.74073   3.77734   3.93114
 Alpha virt. eigenvalues --    4.08889
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.778589   0.298970  -0.583140   0.047807   0.032450  -0.306867
     2  C    0.298970   6.672990  -0.081772  -0.514596   0.032957   0.160084
     3  C   -0.583140  -0.081772  11.266681  -2.867213  -0.055103  -0.043432
     4  C    0.047807  -0.514596  -2.867213   8.006793  -0.073022  -0.007055
     5  O    0.032450   0.032957  -0.055103  -0.073022   8.280943  -0.026737
     6  C   -0.306867   0.160084  -0.043432  -0.007055  -0.026737   4.701735
     7  N    0.128045  -0.035647  -0.970069   0.404665   0.008550  -0.040542
     8  O    0.008452   0.063753   0.050451   0.043024  -0.015221  -0.013199
     9  H    0.099500   0.217741  -1.314458   0.220934  -0.024081  -0.017649
    10  H   -0.117509  -0.685740   0.087023   0.183577   0.001704  -0.021790
    11  H   -0.005390   0.005669   0.079756  -0.133002   0.276462  -0.004317
    12  H   -0.009144  -0.000303   0.126697  -0.055568   0.003110   0.004479
    13  H   -0.009472  -0.017049   0.002194  -0.095568  -0.002258   0.016687
    14  H    0.022908   0.171940  -0.352982   0.085863   0.021015   0.146489
    15  H    0.060909   0.176446   0.157470  -0.086387  -0.002305   0.044995
    16  H   -0.202890  -0.047118   0.020441   0.097303  -0.025032   0.420573
    17  H    0.152376   0.100628  -0.103276   0.026519  -0.001153  -0.015654
    18  H    0.347826   0.024947  -0.195905   0.114718  -0.008870  -0.104988
    19  H    0.136827   0.082823   0.094379  -0.043900   0.003225   0.029054
               7          8          9         10         11         12
     1  C    0.128045   0.008452   0.099500  -0.117509  -0.005390  -0.009144
     2  C   -0.035647   0.063753   0.217741  -0.685740   0.005669  -0.000303
     3  C   -0.970069   0.050451  -1.314458   0.087023   0.079756   0.126697
     4  C    0.404665   0.043024   0.220934   0.183577  -0.133002  -0.055568
     5  O    0.008550  -0.015221  -0.024081   0.001704   0.276462   0.003110
     6  C   -0.040542  -0.013199  -0.017649  -0.021790  -0.004317   0.004479
     7  N    6.884735   0.008325   0.182018  -0.010627  -0.001063   0.217229
     8  O    0.008325   8.374033  -0.022239   0.002917  -0.038736  -0.002586
     9  H    0.182018  -0.022239   2.210437  -0.044511   0.013211  -0.082421
    10  H   -0.010627   0.002917  -0.044511   2.185495   0.002064   0.016357
    11  H   -0.001063  -0.038736   0.013211   0.002064   0.620327  -0.000611
    12  H    0.217229  -0.002586  -0.082421   0.016357  -0.000611   0.920087
    13  H    0.312168   0.017798   0.043865  -0.011999  -0.000958  -0.110860
    14  H    0.041387   0.003733   0.044179  -0.061782   0.001652  -0.000556
    15  H   -0.027595  -0.001392   0.017852  -0.107296  -0.001027   0.000050
    16  H   -0.002164  -0.011082  -0.020698   0.087018   0.002872   0.000137
    17  H   -0.004709  -0.003937   0.011462  -0.083786   0.000231  -0.006591
    18  H    0.010579   0.007639   0.008455   0.075285   0.002439   0.001882
    19  H    0.005744  -0.001371   0.007358  -0.059981  -0.001062   0.000528
              13         14         15         16         17         18
     1  C   -0.009472   0.022908   0.060909  -0.202890   0.152376   0.347826
     2  C   -0.017049   0.171940   0.176446  -0.047118   0.100628   0.024947
     3  C    0.002194  -0.352982   0.157470   0.020441  -0.103276  -0.195905
     4  C   -0.095568   0.085863  -0.086387   0.097303   0.026519   0.114718
     5  O   -0.002258   0.021015  -0.002305  -0.025032  -0.001153  -0.008870
     6  C    0.016687   0.146489   0.044995   0.420573  -0.015654  -0.104988
     7  N    0.312168   0.041387  -0.027595  -0.002164  -0.004709   0.010579
     8  O    0.017798   0.003733  -0.001392  -0.011082  -0.003937   0.007639
     9  H    0.043865   0.044179   0.017852  -0.020698   0.011462   0.008455
    10  H   -0.011999  -0.061782  -0.107296   0.087018  -0.083786   0.075285
    11  H   -0.000958   0.001652  -0.001027   0.002872   0.000231   0.002439
    12  H   -0.110860  -0.000556   0.000050   0.000137  -0.006591   0.001882
    13  H    0.816658   0.002078  -0.001543   0.002441   0.039897  -0.008187
    14  H    0.002078   1.728541  -0.405937  -0.247592  -0.015336  -0.002406
    15  H   -0.001543  -0.405937   1.766254  -0.398350   0.030037  -0.018350
    16  H    0.002441  -0.247592  -0.398350   1.457545  -0.007924   0.013705
    17  H    0.039897  -0.015336   0.030037  -0.007924   1.791324  -0.242978
    18  H   -0.008187  -0.002406  -0.018350   0.013705  -0.242978   1.467397
    19  H   -0.002398   0.026965  -0.018420  -0.021045  -0.449571  -0.345754
              19
     1  C    0.136827
     2  C    0.082823
     3  C    0.094379
     4  C   -0.043900
     5  O    0.003225
     6  C    0.029054
     7  N    0.005744
     8  O   -0.001371
     9  H    0.007358
    10  H   -0.059981
    11  H   -0.001062
    12  H    0.000528
    13  H   -0.002398
    14  H    0.026965
    15  H   -0.018420
    16  H   -0.021045
    17  H   -0.449571
    18  H   -0.345754
    19  H    1.747092
 Mulliken charges:
               1
     1  C    1.119752
     2  C   -0.626723
     3  C    0.682257
     4  C    0.645107
     5  O   -0.426633
     6  C    1.078134
     7  N   -0.111028
     8  O   -0.470362
     9  H   -0.550956
    10  H   -0.436418
    11  H    0.181482
    12  H   -0.021917
    13  H    0.006504
    14  H   -0.210159
    15  H   -0.185412
    16  H   -0.118140
    17  H   -0.217561
    18  H   -0.147435
    19  H   -0.190493
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.564263
     2  C   -1.063142
     3  C    0.131302
     4  C    0.645107
     5  O   -0.245151
     6  C    0.564423
     7  N   -0.126441
     8  O   -0.470362
 Electronic spatial extent (au):  <R**2>=            997.1853
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2565    Y=             -1.2655    Z=             -0.6617  Tot=              1.4509
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.7916   YY=            -49.7693   ZZ=            -52.0873
   XY=              0.7785   XZ=              3.0447   YZ=             -1.3286
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0911   YY=              0.1135   ZZ=             -2.2046
   XY=              0.7785   XZ=              3.0447   YZ=             -1.3286
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.1711  YYY=             -3.3043  ZZZ=             -5.0951  XYY=            -17.6534
  XXY=            -10.2188  XXZ=             -2.5874  XZZ=             -3.1713  YZZ=             -3.3330
  YYZ=              8.7210  XYZ=             10.4085
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -578.8488 YYYY=           -435.1753 ZZZZ=           -252.3719 XXXY=             30.6288
 XXXZ=              1.4288 YYYX=              4.4069 YYYZ=              4.9319 ZZZX=              4.4081
 ZZZY=             -1.1169 XXYY=           -155.6389 XXZZ=           -151.5905 YYZZ=           -118.5855
 XXYZ=            -16.6504 YYXZ=              0.5570 ZZXY=             -2.3898
 N-N= 4.110480391764D+02 E-N=-1.760396938125D+03  KE= 3.991144484581D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:38:36 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7246    0.7249        0.3825    0.3819
 2     -0.7246   -0.7249       -0.8703   -0.8703        0.8487    0.8483
 3     -0.3825   -0.3819        3.6047    3.6043        0.8703    0.8703
 4      0.8703    0.8703        0.0000    0.0000       -0.3816   -0.3819
 5     -4.4534   -4.4526        0.3816    0.3819        0.7246    0.7249
 6     -0.8703   -0.8703       -0.7246   -0.7249        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.1747   -2.1747        1.1457    1.1457
 2      2.6109    2.6109        0.0000    0.0000        1.1457    1.1457
 3      2.6109    2.6109       -2.1747   -2.1747       -0.0000    0.0000
 4     -2.1747   -2.1747       -2.6109   -2.6109        2.5450    2.5450
 5     -1.1457   -1.1457       10.8129   10.8129        2.6109    2.6109
 6    -13.3579  -13.3579        1.1457    1.1457        2.1747    2.1747
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0223    0.0000       -2.8567   -2.8996       -1.5072   -1.5275
 2      2.9023    2.8996        3.4641    3.4812       -3.3863   -3.3933
 3      1.5174    1.5275      -14.3875  -14.4172       -3.4994   -3.4812
 4     -3.4799   -3.4812        0.0062    0.0000        1.5331    1.5275
 5     17.8087   17.8105       -1.5499   -1.5275       -2.8914   -2.8996
 6      3.4963    3.4812        2.9162    2.8996        0.0009    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0157    0.0000       10.5637   10.6190      -11.5900  -11.6228
 2    -10.6230  -10.6190       -0.9950   -0.8692        1.9256    1.9646
 3     11.5949   11.6228        8.2968    8.2777        0.8781    0.8692
 4      0.8761    0.8692        0.0032    0.0000       11.6130   11.6228
 5    -10.2476  -10.2423      -11.6875  -11.6228       10.5679   10.6190
 6     -0.8414   -0.8692      -10.5597  -10.6190       -0.0195    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7613   -0.7656       25.3106   25.2366       34.9684   34.9770
 2     -4.7148   -4.6996       41.3100   41.3059       35.0025   34.9770
 3     -4.6967   -4.6996       25.2854   25.2366       51.0381   51.0393
 4    -16.0534  -16.0693        3.8895    3.9340        8.7146    8.7485
 5     16.0187   16.0624       11.5853   11.6055       -4.0269   -3.9340
 6    -20.3859  -20.3540      -16.0606  -16.0624       16.0028   16.0693
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.8278                 0.5342                 0.8855
  Dep-P Fr= 1--      0.7498                 0.7371                 0.5678
  Dep-U Fr= 1--      0.8570                 0.8487                 0.7243
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0030
 Beta2  Fr= 1--      0.1182                 0.0756                 0.1069
 AlphaG Fr= 1--     -0.0000                 0.0005                -0.0017
 Gamma2 Fr= 1--     -0.0451                 0.0220                 0.0612
 Delta2 Fr= 1--      0.0320                 0.0080                 0.0697
 Raman1 Fr= 1--       3.311                  2.137                  3.542
 ROA1   Fr= 1--      -3.309                  2.371                  8.104
 CID1   Fr= 1--      -0.999                  1.110                  2.288
 Raman2 Fr= 1--       1.419                  0.907                  1.283
 ROA2   Fr= 1--      -1.340                  0.465                  0.912
 CID2   Fr= 1--      -0.944                  0.512                  0.711
 Raman3 Fr= 1--       2.838                  1.813                  2.566
 ROA3   Fr= 1--      -3.309                  2.371                  8.104
 CID3   Fr= 1--      -1.166                  1.307                  3.159
 RC180  Fr= 1--       0.714                  0.697                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.0833                 0.1211                 0.0329
  Dep-P Fr= 1--      0.7225                 0.2808                 0.4225
  Dep-U Fr= 1--      0.8389                 0.4385                 0.5940
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0002
 Beta2  Fr= 1--      0.0117                 0.0088                 0.0033
 AlphaG Fr= 1--     -0.0000                 0.0050                -0.0025
 Gamma2 Fr= 1--     -0.0390                 0.0427                 0.0274
 Delta2 Fr= 1--      0.0180                 0.0059                 0.0210
 Raman1 Fr= 1--       0.333                  0.484                  0.132
 ROA1   Fr= 1--      -3.170                  4.285                  3.301
 CID1   Fr= 1--      -9.509                  8.849                 25.064
 Raman2 Fr= 1--       0.140                  0.106                  0.039
 ROA2   Fr= 1--      -1.081                  0.976                  0.489
 CID2   Fr= 1--      -7.728                  9.196                 12.491
 Raman3 Fr= 1--       0.280                  0.212                  0.078
 ROA3   Fr= 1--      -3.170                  4.285                  3.301
 CID3   Fr= 1--     -11.335                 20.179                 42.194
 RC180  Fr= 1--       0.678                 -0.123                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.1487                 0.3985                 0.9277
  Dep-P Fr= 1--      0.0806                 0.2978                 0.7089
  Dep-U Fr= 1--      0.1492                 0.4589                 0.8296
 Alpha2 Fr= 1--      0.0027                 0.0041                 0.0007
 Beta2  Fr= 1--      0.0037                 0.0305                 0.1283
 AlphaG Fr= 1--     -0.0064                -0.0010                -0.0030
 Gamma2 Fr= 1--      0.0224                -0.1635                -0.2265
 Delta2 Fr= 1--     -0.0137                -0.0009                 0.1120
 Raman1 Fr= 1--       0.595                  1.594                  3.711
 ROA1   Fr= 1--       1.713                -15.725                -18.160
 CID1   Fr= 1--       2.879                 -9.865                 -4.894
 Raman2 Fr= 1--       0.044                  0.366                  1.539
 ROA2   Fr= 1--       0.647                 -3.917                 -6.332
 CID2   Fr= 1--      14.568                -10.709                 -4.113
 Raman3 Fr= 1--       0.089                  0.731                  3.079
 ROA3   Fr= 1--       1.713                -15.725                -18.160
 CID3   Fr= 1--      19.293                -21.497                 -5.899
 RC180  Fr= 1--      -0.702                 -0.082                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      0.9323                 0.6457                 3.5483
  Dep-P Fr= 1--      0.4948                 0.3361                 0.0967
  Dep-U Fr= 1--      0.6621                 0.5031                 0.1764
 Alpha2 Fr= 1--      0.0047                 0.0059                 0.0626
 Beta2  Fr= 1--      0.1029                 0.0541                 0.1043
 AlphaG Fr= 1--      0.0080                 0.0086                -0.0076
 Gamma2 Fr= 1--      0.2911                 0.1120                 0.5103
 Delta2 Fr= 1--     -0.0356                 0.0299                 0.1444
 Raman1 Fr= 1--       3.729                  2.583                 14.193
 ROA1   Fr= 1--      26.804                 11.709                 53.611
 CID1   Fr= 1--       7.187                  4.533                  3.777
 Raman2 Fr= 1--       1.235                  0.650                  1.252
 ROA2   Fr= 1--       7.271                  2.449                 11.092
 CID2   Fr= 1--       5.890                  3.769                  8.862
 Raman3 Fr= 1--       2.469                  1.300                  2.503
 ROA3   Fr= 1--      26.804                 11.709                 53.611
 CID3   Fr= 1--      10.856                  9.010                 21.416
 RC180  Fr= 1--       0.324                  0.006                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.4852                 3.2328                10.9891
  Dep-P Fr= 1--      0.7476                 0.2559                 0.0351
  Dep-U Fr= 1--      0.8556                 0.4076                 0.0677
 Alpha2 Fr= 1--      0.0000                 0.0377                 0.2249
 Beta2  Fr= 1--      0.0692                 0.2196                 0.1241
 AlphaG Fr= 1--      0.0013                -0.0378                 0.0666
 Gamma2 Fr= 1--     -0.4406                -0.9177                 0.6330
 Delta2 Fr= 1--      0.0335                -0.2525                -0.0965
 Raman1 Fr= 1--       1.941                 12.931                 43.956
 ROA1   Fr= 1--     -41.228                -96.184                 57.679
 CID1   Fr= 1--     -21.242                 -7.438                  1.312
 Raman2 Fr= 1--       0.830                  2.635                  1.489
 ROA2   Fr= 1--     -10.843                -20.005                 15.964
 CID2   Fr= 1--     -13.059                 -7.592                 10.723
 Raman3 Fr= 1--       1.661                  5.270                  2.978
 ROA3   Fr= 1--     -41.228                -96.184                 57.679
 CID3   Fr= 1--     -24.828                -18.250                 19.371
 RC180  Fr= 1--       0.711                 -0.185                 -0.865
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      5.8206                 1.4692                 1.9091
  Dep-P Fr= 1--      0.0614                 0.7428                 0.6189
  Dep-U Fr= 1--      0.1156                 0.8524                 0.7646
 Alpha2 Fr= 1--      0.1119                 0.0002                 0.0046
 Beta2  Fr= 1--      0.1122                 0.2087                 0.2433
 AlphaG Fr= 1--     -0.0762                 0.0004                -0.0172
 Gamma2 Fr= 1--     -0.0241                -0.3671                -0.0046
 Delta2 Fr= 1--      0.8656                -0.2757                 0.0445
 Raman1 Fr= 1--      23.282                  5.877                  7.636
 ROA1   Fr= 1--      25.383                -44.063                  0.982
 CID1   Fr= 1--       1.090                 -7.498                  0.129
 Raman2 Fr= 1--       1.346                  2.505                  2.919
 ROA2   Fr= 1--      -7.504                 -6.605                 -0.467
 CID2   Fr= 1--      -5.576                 -2.637                 -0.160
 Raman3 Fr= 1--       2.692                  5.009                  5.839
 ROA3   Fr= 1--      25.383                -44.063                  0.982
 CID3   Fr= 1--       9.430                 -8.796                  0.168
 RC180  Fr= 1--      -0.769                  0.705                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.5824                 5.2396                 1.8276
  Dep-P Fr= 1--      0.6219                 0.6489                 0.7377
  Dep-U Fr= 1--      0.7669                 0.7871                 0.8490
 Alpha2 Fr= 1--      0.0014                 0.0095                 0.0004
 Beta2  Fr= 1--      0.0744                 0.6873                 0.2586
 AlphaG Fr= 1--     -0.0044                -0.0069                 0.0012
 Gamma2 Fr= 1--     -0.4164                -0.3882                 0.0345
 Delta2 Fr= 1--     -0.2481                 0.6843                 0.0756
 Raman1 Fr= 1--       2.330                 20.959                  7.310
 ROA1   Fr= 1--     -47.915                -15.373                  5.734
 CID1   Fr= 1--     -20.567                 -0.733                  0.784
 Raman2 Fr= 1--       0.893                  8.248                  3.103
 ROA2   Fr= 1--      -8.008                -14.792                  0.224
 CID2   Fr= 1--      -8.965                 -1.793                  0.072
 Raman3 Fr= 1--       1.787                 16.496                  6.207
 ROA3   Fr= 1--     -47.915                -15.373                  5.734
 CID3   Fr= 1--     -26.819                 -0.932                  0.924
 RC180  Fr= 1--       0.534                  0.574                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      3.7974                 1.2738                 1.8531
  Dep-P Fr= 1--      0.6928                 0.2707                 0.6823
  Dep-U Fr= 1--      0.8185                 0.4261                 0.8111
 Alpha2 Fr= 1--      0.0038                 0.0142                 0.0022
 Beta2  Fr= 1--      0.5180                 0.0905                 0.2505
 AlphaG Fr= 1--      0.0043                 0.0229                -0.0060
 Gamma2 Fr= 1--     -0.4427                -0.1321                 0.3469
 Delta2 Fr= 1--      0.1487                -0.2595                -0.4258
 Raman1 Fr= 1--      15.190                  5.095                  7.412
 ROA1   Fr= 1--     -37.744                -20.982                 19.675
 CID1   Fr= 1--      -2.485                 -4.118                  2.654
 Raman2 Fr= 1--       6.216                  1.086                  3.006
 ROA2   Fr= 1--     -11.816                 -1.094                 11.732
 CID2   Fr= 1--      -1.901                 -1.007                  3.903
 Raman3 Fr= 1--      12.433                  2.171                  6.012
 ROA3   Fr= 1--     -37.744                -20.982                 19.675
 CID3   Fr= 1--      -3.036                 -9.664                  3.272
 RC180  Fr= 1--       0.637                 -0.148                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      1.1048                 2.9882                 0.9042
  Dep-P Fr= 1--      0.7023                 0.5345                 0.3415
  Dep-U Fr= 1--      0.8251                 0.6966                 0.5091
 Alpha2 Fr= 1--      0.0009                 0.0124                 0.0082
 Beta2  Fr= 1--      0.1519                 0.3469                 0.0767
 AlphaG Fr= 1--     -0.0069                 0.0052                 0.0145
 Gamma2 Fr= 1--     -0.0790                 0.1322                -0.1242
 Delta2 Fr= 1--      0.2498                -0.2230                 0.0452
 Raman1 Fr= 1--       4.419                 11.953                  3.617
 ROA1   Fr= 1--       0.410                  5.554                -10.475
 CID1   Fr= 1--       0.093                  0.465                 -2.896
 Raman2 Fr= 1--       1.823                  4.163                  0.921
 ROA2   Fr= 1--      -3.894                  4.956                 -3.342
 CID2   Fr= 1--      -2.136                  1.190                 -3.629
 Raman3 Fr= 1--       3.647                  8.327                  1.841
 ROA3   Fr= 1--       0.410                  5.554                -10.475
 CID3   Fr= 1--       0.112                  0.667                 -5.689
 RC180  Fr= 1--       0.650                  0.393                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--      8.8344                 2.9118                 3.3496
  Dep-P Fr= 1--      0.5141                 0.4289                 0.7200
  Dep-U Fr= 1--      0.6791                 0.6003                 0.8372
 Alpha2 Fr= 1--      0.0408                 0.0194                 0.0017
 Beta2  Fr= 1--      0.9999                 0.2913                 0.4674
 AlphaG Fr= 1--     -0.0213                -0.0109                -0.0040
 Gamma2 Fr= 1--     -1.4867                 0.2466                 1.2835
 Delta2 Fr= 1--      1.1285                -0.7381                 1.0240
 Raman1 Fr= 1--      35.337                 11.647                 13.398
 ROA1   Fr= 1--    -106.614                  0.055                155.985
 CID1   Fr= 1--      -3.017                  0.005                 11.642
 Raman2 Fr= 1--      11.999                  3.496                  5.609
 ROA2   Fr= 1--     -44.709                 11.823                 22.613
 CID2   Fr= 1--      -3.726                  3.382                  4.032
 Raman3 Fr= 1--      23.997                  6.992                 11.217
 ROA3   Fr= 1--    -106.614                  0.055                155.985
 CID3   Fr= 1--      -4.443                  0.008                 13.906
 RC180  Fr= 1--       0.358                  0.201                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      3.4859                 0.1339                 1.3914
  Dep-P Fr= 1--      0.7498                 0.7495                 0.4561
  Dep-U Fr= 1--      0.8570                 0.8568                 0.6265
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0083
 Beta2  Fr= 1--      0.4979                 0.0191                 0.1453
 AlphaG Fr= 1--      0.0006                 0.0000                 0.0150
 Gamma2 Fr= 1--      0.6572                 0.0108                 0.3532
 Delta2 Fr= 1--     -0.9945                -0.0680                -0.2713
 Raman1 Fr= 1--      13.943                  0.536                  5.566
 ROA1   Fr= 1--      31.269                 -1.140                 25.228
 CID1   Fr= 1--       2.243                 -2.127                  4.533
 Raman2 Fr= 1--       5.975                  0.230                  1.743
 ROA2   Fr= 1--      23.729                  0.804                 10.648
 CID2   Fr= 1--       3.972                  3.501                  6.108
 Raman3 Fr= 1--      11.949                  0.459                  3.487
 ROA3   Fr= 1--      31.269                 -1.140                 25.228
 CID3   Fr= 1--       2.617                 -2.482                  7.235
 RC180  Fr= 1--       0.714                  0.714                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.0585                 4.5041                 3.3906
  Dep-P Fr= 1--      0.7085                 0.7489                 0.7455
  Dep-U Fr= 1--      0.8294                 0.8564                 0.8542
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0003
 Beta2  Fr= 1--      0.1463                 0.6429                 0.4827
 AlphaG Fr= 1--     -0.0011                -0.0007                 0.0031
 Gamma2 Fr= 1--      0.0460                 0.3672                 0.0059
 Delta2 Fr= 1--      0.0480                 0.1152                 0.0241
 Raman1 Fr= 1--       4.234                 18.017                 13.562
 ROA1   Fr= 1--       5.949                 38.939                  1.336
 CID1   Fr= 1--       1.405                  2.161                  0.099
 Raman2 Fr= 1--       1.756                  7.715                  5.792
 ROA2   Fr= 1--       0.719                  7.892                 -0.051
 CID2   Fr= 1--       0.409                  1.023                 -0.009
 Raman3 Fr= 1--       3.512                 15.430                 11.585
 ROA3   Fr= 1--       5.949                 38.939                  1.336
 CID3   Fr= 1--       1.694                  2.524                  0.115
 RC180  Fr= 1--       0.659                  0.713                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      5.8411                 1.2286                 2.1346
  Dep-P Fr= 1--      0.7480                 0.6540                 0.5580
  Dep-U Fr= 1--      0.8558                 0.7908                 0.7163
 Alpha2 Fr= 1--      0.0002                 0.0021                 0.0078
 Beta2  Fr= 1--      0.8332                 0.1619                 0.2548
 AlphaG Fr= 1--     -0.0014                -0.0009                -0.0028
 Gamma2 Fr= 1--     -0.1094                -0.0861                -0.2923
 Delta2 Fr= 1--      0.1982                 0.2047                 0.1057
 Raman1 Fr= 1--      23.364                  4.914                  8.538
 ROA1   Fr= 1--      -4.161                 -1.712                -24.675
 CID1   Fr= 1--      -0.178                 -0.348                 -2.890
 Raman2 Fr= 1--       9.998                  1.943                  3.058
 ROA2   Fr= 1--      -4.211                 -3.703                 -7.861
 CID2   Fr= 1--      -0.421                 -1.906                 -2.570
 Raman3 Fr= 1--      19.996                  3.886                  6.116
 ROA3   Fr= 1--      -4.161                 -1.712                -24.675
 CID3   Fr= 1--      -0.208                 -0.441                 -4.034
 RC180  Fr= 1--       0.712                  0.582                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--     11.0687               128.2963                77.8448
  Dep-P Fr= 1--      0.1613                 0.2278                 0.0259
  Dep-U Fr= 1--      0.2777                 0.3711                 0.0506
 Alpha2 Fr= 1--      0.1663                 1.6166                 1.6278
 Beta2  Fr= 1--      0.5124                 7.9356                 0.6562
 AlphaG Fr= 1--     -0.0240                -0.2005                 0.0321
 Gamma2 Fr= 1--     -0.1720                -7.5481                 1.3795
 Delta2 Fr= 1--      0.2303                -4.9731                 0.8336
 Raman1 Fr= 1--      44.275                513.185                311.379
 ROA1   Fr= 1--      -9.142               -883.758                159.109
 CID1   Fr= 1--      -0.206                 -1.722                  0.511
 Raman2 Fr= 1--       6.148                 95.227                  7.874
 ROA2   Fr= 1--      -5.971               -141.370                 26.439
 CID2   Fr= 1--      -0.971                 -1.485                  3.358
 Raman3 Fr= 1--      12.297                190.454                 15.748
 ROA3   Fr= 1--      -9.142               -883.758                159.109
 CID3   Fr= 1--      -0.743                 -4.640                 10.103
 RC180  Fr= 1--      -0.445                 -0.258                 -0.899
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    215.6613                86.8116                 9.6776
  Dep-P Fr= 1--      0.0260                 0.1248                 0.7096
  Dep-U Fr= 1--      0.0507                 0.2219                 0.8302
 Alpha2 Fr= 1--      4.5092                 1.4298                 0.0068
 Beta2  Fr= 1--      1.8211                 3.2103                 1.3390
 AlphaG Fr= 1--     -0.4196                 0.7019                 0.0051
 Gamma2 Fr= 1--      0.5091                 7.9629                 4.0356
 Delta2 Fr= 1--     -0.0128                 5.2684                 2.3149
 Raman1 Fr= 1--     862.645                347.246                 38.710
 ROA1   Fr= 1--      48.468                933.027                461.492
 CID1   Fr= 1--       0.056                  2.687                 11.922
 Raman2 Fr= 1--      21.853                 38.523                 16.068
 ROA2   Fr= 1--      12.322                148.962                 78.335
 CID2   Fr= 1--       0.564                  3.867                  4.875
 Raman3 Fr= 1--      43.705                 77.047                 32.136
 ROA3   Fr= 1--      48.468                933.027                461.492
 CID3   Fr= 1--       1.109                 12.110                 14.361
 RC180  Fr= 1--      -0.899                 -0.556                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     65.7438                88.0927                43.7559
  Dep-P Fr= 1--      0.7495                 0.6086                 0.5580
  Dep-U Fr= 1--      0.8568                 0.7566                 0.7163
 Alpha2 Fr= 1--      0.0005                 0.2295                 0.1598
 Beta2  Fr= 1--      9.3887                11.1092                 5.2236
 AlphaG Fr= 1--     -0.0149                -0.1269                 0.2181
 Gamma2 Fr= 1--    -12.3573                 5.9534                 0.4423
 Delta2 Fr= 1--     -6.9639                 4.7597                -1.6364
 Raman1 Fr= 1--     262.975                352.371                175.024
 ROA1   Fr= 1--   -1409.149                723.837                 -9.907
 CID1   Fr= 1--      -5.358                  2.054                 -0.057
 Raman2 Fr= 1--     112.664                133.310                 62.683
 ROA2   Fr= 1--    -240.864                104.804                 23.705
 CID2   Fr= 1--      -2.138                  0.786                  0.378
 Raman3 Fr= 1--     225.329                266.621                125.366
 ROA3   Fr= 1--   -1409.149                723.837                 -9.907
 CID3   Fr= 1--      -6.254                  2.715                 -0.079
 RC180  Fr= 1--       0.714                  0.513                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    113.1727                42.7571               126.7141
  Dep-P Fr= 1--      0.0803                 0.6544                 0.2191
  Dep-U Fr= 1--      0.1486                 0.7911                 0.3595
 Alpha2 Fr= 1--      2.0790                 0.0732                 1.6349
 Beta2  Fr= 1--      2.8025                 5.6374                 7.5921
 AlphaG Fr= 1--      0.2001                 0.0854                 0.0212
 Gamma2 Fr= 1--      0.4605                 0.3731                -1.2521
 Delta2 Fr= 1--     -0.5864                 1.5620                -0.9331
 Raman1 Fr= 1--     452.691                171.029                506.856
 ROA1   Fr= 1--      25.439                 85.805               -150.059
 CID1   Fr= 1--       0.056                  0.502                 -0.296
 Raman2 Fr= 1--      33.630                 67.649                 91.105
 ROA2   Fr= 1--      15.742                 -3.540                -22.585
 CID2   Fr= 1--       0.468                 -0.052                 -0.248
 Raman3 Fr= 1--      67.260                135.298                182.211
 ROA3   Fr= 1--      25.439                 85.805               -150.059
 CID3   Fr= 1--       0.378                  0.634                 -0.824
 RC180  Fr= 1--      -0.703                  0.582                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
     X                XXX   X                                          X   X                XXX      X X   X   X             X       
     X                 XX                                              X   X                XXX      X X   X   X                     
     X                 X                                               X                    XXX      X X       X                     
                                                                       X                     XX      X X       X                     
                                                                       X                     X       X X       X                     
                                                                       X                     X       X                               
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.818797D+02  0.763772D+00 -0.144981D+01
      2   0.763772D+00  0.835763D+02  0.174061D+01
      3  -0.144981D+01  0.174061D+01  0.746711D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148947D+01 -0.273591D+01 -0.139939D+01
      2   0.143587D+02 -0.247176D+01  0.254708D+02
      3   0.120184D+02 -0.263400D+02  0.264938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.749007D+02 -0.267263D+02  0.276025D+02
      2  -0.378332D+02  0.121468D+02 -0.234369D+02
      3  -0.370675D+02  0.145795D+02 -0.416563D+01
      4  -0.160761D+02  0.364250D+02  0.321991D+01
      5   0.194220D+02  0.274375D+01  0.411246D+02
      6   0.807034D+01 -0.155550D+02  0.916050D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.591724D+01  0.206566D+01 -0.353013D+01  0.244319D+01  0.910819D+00
      2   0.206566D+01  0.101180D+01 -0.170408D-01  0.910819D+00 -0.606187D+01
      3  -0.353013D+01 -0.170408D-01  0.177623D+01  0.170301D+00 -0.818329D+00
                 6             7             8             9            10 
      1   0.170301D+00 -0.279080D+01  0.537730D-01  0.223346D+01  0.506688D+01
      2  -0.818329D+00  0.537730D-01 -0.113498D+00  0.290760D+01 -0.310826D+01
      3   0.248930D+01  0.223346D+01  0.290760D+01  0.255350D+00  0.296159D+01
                11            12            13            14            15 
      1  -0.310826D+01  0.296159D+01 -0.430805D+01 -0.179605D+01  0.739542D+00
      2  -0.108213D+01  0.197867D+00 -0.179605D+01  0.346970D+01  0.109181D+01
      3   0.197867D+00 -0.260767D+01  0.739542D+00  0.109181D+01 -0.369674D+01
                16            17            18            19            20 
      1   0.526321D+01  0.243911D+00 -0.309122D+01 -0.514682D+01  0.422621D+01
      2   0.243911D+00  0.107830D+01 -0.409727D+01  0.422621D+01  0.168513D+01
      3  -0.309122D+01 -0.409727D+01 -0.595100D+00 -0.191518D+01 -0.940114D+00
                21            22            23            24            25 
      1  -0.191518D+01  0.199673D+01  0.109313D+01 -0.555372D-02 -0.272151D+01
      2  -0.940114D+00  0.109313D+01 -0.149658D+01  0.703627D+00 -0.122165D+01
      3   0.105515D+01 -0.555372D-02  0.703627D+00  0.273573D+01  0.137195D+01
                26            27            28            29            30 
      1  -0.122165D+01  0.137195D+01  0.302719D+00 -0.203164D+01 -0.118668D+00
      2  -0.972801D+00  0.338179D+01 -0.203164D+01  0.687376D+00  0.131651D+01
      3   0.338179D+01  0.363452D+01 -0.118668D+00  0.131651D+01  0.209535D+00
                31            32            33            34            35 
      1  -0.196921D+01 -0.460429D+00  0.224220D+01 -0.242172D+01  0.160554D+01
      2  -0.460429D+00 -0.433863D+00  0.850018D+00  0.160554D+01  0.131122D+00
      3   0.224220D+01  0.850018D+00 -0.286954D+01  0.106289D+01 -0.226100D+01
                36            37            38            39            40 
      1   0.106289D+01  0.266255D+01  0.695787D+00 -0.258285D+01  0.204683D+00
      2  -0.226100D+01  0.695787D+00  0.159794D+01 -0.139966D+01  0.672181D+00
      3  -0.304470D+01 -0.258285D+01 -0.139966D+01  0.101084D+01 -0.176665D+01
                41            42            43            44            45 
      1   0.672181D+00 -0.176665D+01 -0.388066D+01 -0.273471D+01  0.363155D+00
      2  -0.370248D+01 -0.215430D+01 -0.273471D+01 -0.382040D+01 -0.429291D+00
      3  -0.215430D+01  0.345798D+00  0.363155D+00 -0.429291D+00 -0.266892D+01
                46            47            48            49            50 
      1  -0.604134D+01  0.297831D+01 -0.199457D+01  0.223490D+01  0.176836D+01
      2   0.297831D+01  0.143456D+01  0.142813D-01  0.176836D+01 -0.260168D+01
      3  -0.199457D+01  0.142813D-01  0.260695D+01 -0.232077D+00 -0.463963D+00
                51            52            53            54            55 
      1  -0.232077D+00 -0.236190D+01 -0.682832D-01  0.227239D+01  0.432112D+01
      2  -0.463963D+00 -0.682832D-01 -0.628025D-02  0.417783D+01 -0.186365D+01
      3   0.366611D+01  0.227239D+01  0.417783D+01  0.294370D+01  0.233881D+01
                56            57            58            59            60 
      1  -0.186365D+01  0.233881D+01 -0.815634D+00  0.572699D+00 -0.386955D+00
      2   0.155445D+01 -0.247198D+00  0.572699D+00  0.365750D+01 -0.155989D+01
      3  -0.247198D+00  0.166760D+01 -0.386955D+00 -0.155989D+01 -0.116619D+01
                61            62            63            64            65 
      1   0.237154D+01 -0.455803D+00  0.162882D+01 -0.375945D+01  0.176419D+01
      2  -0.455803D+00 -0.193023D+01 -0.760905D+00  0.176419D+01 -0.179134D+01
      3   0.162882D+01 -0.760905D+00 -0.327031D+01  0.302788D+01 -0.775888D+00
                66            67            68            69            70 
      1   0.302788D+01  0.287632D+01 -0.124478D+01 -0.122127D+01  0.461520D+01
      2  -0.775888D+00 -0.124478D+01  0.377998D+01  0.173120D+01 -0.434862D+00
      3  -0.177541D+01 -0.122127D+01  0.173120D+01  0.248037D+01 -0.288925D+01
                71            72            73            74            75 
      1  -0.434862D+00 -0.288925D+01  0.274804D+00 -0.798493D+00 -0.962746D+00
      2   0.307086D+01  0.210084D+01 -0.798493D+00 -0.223947D+00 -0.312602D-01
      3   0.210084D+01  0.775132D+01 -0.962746D+00 -0.312602D-01 -0.580273D+00
                76            77            78            79            80 
      1  -0.117161D+01 -0.281695D+00 -0.179745D+00 -0.117849D+01  0.715505D-01
      2  -0.281695D+00 -0.925571D+00 -0.151944D+01  0.715505D-01 -0.178995D+01
      3  -0.179745D+00 -0.151944D+01 -0.190065D+01 -0.902150D+00 -0.150768D+01
                81            82            83            84            85 
      1  -0.902150D+00  0.307613D+01  0.148082D+01 -0.237530D+01  0.235099D+01
      2  -0.150768D+01  0.148082D+01  0.164618D+01 -0.632783D+00  0.158140D+01
      3  -0.723861D+01 -0.237530D+01 -0.632783D+00  0.249713D+01 -0.812094D+00
                86            87            88            89            90 
      1   0.158140D+01 -0.812094D+00 -0.335219D+01 -0.624544D+00  0.256663D+01
      2   0.142340D+01 -0.141160D+01 -0.624544D+00 -0.177354D+01  0.172920D+01
      3  -0.141160D+01  0.190632D+01  0.256663D+01  0.172920D+01 -0.383932D+01
                91            92            93            94            95 
      1  -0.481549D+01 -0.318808D+01  0.139887D+01 -0.203250D+01 -0.200705D+01
      2  -0.318808D+01 -0.334351D+01  0.988495D+00 -0.200705D+01 -0.328538D+01
      3   0.139887D+01  0.988495D+00 -0.142796D+01  0.697104D+00  0.747911D+00
                96            97            98            99           100 
      1   0.697104D+00  0.312931D+01  0.232280D+01 -0.183689D+01 -0.466341D+01
      2   0.747911D+00  0.232280D+01  0.280246D+01 -0.153085D+01  0.284128D+01
      3  -0.974190D+00 -0.183689D+01 -0.153085D+01  0.166141D+01 -0.259628D+01
               101           102           103           104           105 
      1   0.284128D+01 -0.259628D+01  0.191401D+01 -0.147053D+01  0.731425D+00
      2  -0.256069D+01  0.146814D+01 -0.147053D+01  0.205289D+01 -0.856174D+00
      3   0.146814D+01 -0.213480D+01  0.731425D+00 -0.856174D+00  0.760470D+00
               106           107           108           109           110 
      1  -0.337063D+01  0.132562D+01 -0.196201D+01 -0.137931D+00  0.599003D+00
      2   0.132562D+01 -0.181967D+01  0.139089D+01  0.599003D+00 -0.468382D+00
      3  -0.196201D+01  0.139089D+01 -0.227825D+01  0.102795D+00 -0.450935D+00
               111           112           113           114           115 
      1   0.102795D+00  0.902692D+00 -0.413529D+00 -0.522388D+00  0.127369D+01
      2  -0.450935D+00 -0.413529D+00  0.257758D+01  0.102081D+01 -0.492920D+00
      3   0.155969D-01 -0.522388D+00  0.102081D+01  0.190383D+01 -0.128841D+00
               116           117           118           119           120 
      1  -0.492920D+00 -0.128841D+00 -0.563480D-01 -0.781066D+00 -0.732775D+00
      2   0.309507D+01  0.158533D+01 -0.781066D+00 -0.933230D+00 -0.471429D+00
      3   0.158533D+01  0.351890D+01 -0.732775D+00 -0.471429D+00 -0.111907D+01
               121           122           123           124           125 
      1  -0.705593D+00 -0.286540D+00 -0.950285D-01 -0.126660D+01  0.141483D+00
      2  -0.286540D+00 -0.232944D+01 -0.191600D+01  0.141483D+00 -0.332849D+01
      3  -0.950285D-01 -0.191600D+01 -0.234326D+01 -0.517113D+00 -0.325909D+01
               126           127           128           129           130 
      1  -0.517113D+00  0.883211D+01 -0.329825D+01  0.822380D+00 -0.164417D+01
      2  -0.325909D+01 -0.329825D+01  0.272881D+01 -0.108087D+00  0.154525D+01
      3  -0.619507D+01  0.822380D+00 -0.108087D+00  0.115480D+01 -0.944679D-01
               131           132           133           134           135 
      1   0.154525D+01 -0.944679D-01  0.125101D+01 -0.454435D+00  0.922717D+00
      2  -0.115798D+01  0.212337D+00 -0.454435D+00  0.594906D+00 -0.871744D+00
      3   0.212337D+00 -0.511358D+00  0.922717D+00 -0.871744D+00  0.174230D+00
               136           137           138           139           140 
      1  -0.162242D+01 -0.103454D+01  0.116695D+01 -0.114635D+01 -0.887892D+00
      2  -0.103454D+01 -0.203971D+01  0.721431D+00 -0.887892D+00 -0.285694D+01
      3   0.116695D+01  0.721431D+00 -0.164689D+01  0.487662D+00  0.135118D+01
               141           142           143           144           145 
      1   0.487662D+00  0.168596D+01  0.434222D+00 -0.112548D+01  0.544821D+00
      2   0.135118D+01  0.434222D+00  0.277129D+01 -0.202996D+01  0.823277D+00
      3  -0.170563D+01 -0.112548D+01 -0.202996D+01  0.257855D+01  0.377464D+00
               146           147           148           149           150 
      1   0.823277D+00  0.377464D+00  0.150800D+01  0.293904D+00  0.530010D+00
      2  -0.128073D+00 -0.114846D-01  0.293904D+00  0.833234D+01  0.150528D+01
      3  -0.114846D-01 -0.345251D+00  0.530010D+00  0.150528D+01  0.180359D+01
               151           152           153           154           155 
      1   0.987624D-01  0.716121D-01 -0.308086D+00 -0.174729D+01 -0.763403D+00
      2   0.716121D-01  0.603170D+00  0.768000D+00 -0.763403D+00 -0.112152D+01
      3  -0.308086D+00  0.768000D+00  0.330088D+00  0.136661D+01  0.382305D+00
               156           157           158           159           160 
      1   0.136661D+01 -0.116104D+01 -0.615886D+00  0.248828D+00  0.172232D+01
      2   0.382305D+00 -0.615886D+00 -0.525078D+00  0.102832D+01  0.335821D+00
      3  -0.267163D+01  0.248828D+00  0.102832D+01 -0.204360D+01 -0.123886D+01
               161           162           163           164           165 
      1   0.335821D+00 -0.123886D+01  0.882660D+01 -0.607152D+00  0.324515D+01
      2   0.115509D+01 -0.899219D+00 -0.607152D+00  0.134631D+01 -0.314984D-02
      3  -0.899219D+00  0.481616D+01  0.324515D+01 -0.314984D-02  0.231512D+01
               166           167           168           169           170 
      1  -0.147736D+01  0.102665D+01 -0.530845D+00  0.193350D+01 -0.119125D+00
      2   0.102665D+01  0.834869D-01  0.457193D+00 -0.119125D+00  0.252591D+00
      3  -0.530845D+00  0.457193D+00 -0.880375D+00  0.157790D+01 -0.394473D+00
               171 
      1   0.157790D+01
      2  -0.394473D+00
      3   0.146605D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.568530D+01  0.146606D+01 -0.110206D+01  0.370345D+00 -0.999061D+01
      2   0.723176D+00 -0.231967D+01  0.124662D+02 -0.252491D+01 -0.298490D+01
      3  -0.826174D+01 -0.293121D+01 -0.305073D+01  0.179448D+01  0.119697D+02
                 6             7             8             9            10 
      1  -0.659477D+01 -0.137474D+01 -0.690084D+00  0.331148D+01  0.128909D+01
      2   0.468631D+01  0.682266D+01  0.573438D+01 -0.245495D+01  0.987122D+01
      3   0.158924D+01 -0.213800D+01 -0.111292D-01 -0.371340D+01  0.445859D+01
                11            12            13            14            15 
      1  -0.213459D+00 -0.372784D+00 -0.139646D+01 -0.641416D+00 -0.340540D+01
      2   0.455449D-01  0.292790D+00 -0.308251D+01  0.917368D+00 -0.373022D+01
      3  -0.914269D+00 -0.190190D+01  0.526196D+01 -0.628069D+01  0.669336D+00
                16            17            18            19            20 
      1  -0.577294D+00  0.294939D+01  0.120468D+01 -0.303838D+01 -0.261458D+01
      2  -0.347095D+01 -0.404405D+01 -0.268388D+01 -0.531635D+01  0.678954D+00
      3   0.247966D+01  0.377891D+00  0.460329D+01 -0.293365D+00 -0.202232D+01
                21            22            23            24            25 
      1  -0.665311D+00 -0.100297D+01  0.376699D+01 -0.234381D+01  0.399021D+00
      2   0.125604D+01  0.996089D+00 -0.889539D+00  0.207147D+01 -0.943320D+01
      3   0.179092D+01  0.233060D+01 -0.140504D+01  0.147302D+01 -0.155727D+01
                26            27            28            29            30 
      1   0.347057D+01 -0.468138D+01  0.122631D+01  0.521238D+01  0.224382D+01
      2  -0.130798D+00 -0.182116D+00 -0.948884D+01 -0.309583D+01  0.212695D+01
      3   0.827157D+00  0.638229D+00 -0.823756D+01 -0.376039D+01  0.280693D+00
                31            32            33            34            35 
      1   0.217676D+01 -0.652739D+01 -0.106285D+01  0.943419D+00  0.294098D+00
      2   0.256799D+01  0.243042D+01 -0.133171D+01 -0.407334D+01 -0.164809D+01
      3   0.190924D+01  0.451449D+01 -0.509051D+01 -0.605700D+01 -0.116817D+02
                36            37            38            39            40 
      1   0.452412D+01 -0.275130D+01 -0.592688D+00 -0.413783D-01 -0.343915D+00
      2   0.113172D+02  0.464117D+01  0.345343D+01 -0.121644D+00 -0.978665D+00
      3  -0.162275D+00 -0.967042D+00  0.588805D+00  0.485480D+00  0.604738D+01
                41            42            43            44            45 
      1   0.483701D+00 -0.502602D+01  0.309337D+01  0.386520D+01 -0.501673D+01
      2   0.275229D+01  0.925437D+00 -0.440319D+01  0.103040D+01  0.526233D+01
      3  -0.670302D+01 -0.177950D+01  0.199992D+01 -0.115809D+01 -0.291014D+01
                46            47            48            49            50 
      1  -0.489251D+01 -0.701203D+00  0.506317D+01 -0.109046D+01  0.969265D+00
      2  -0.607561D+01  0.639599D+00  0.553079D+01  0.178662D+00  0.907174D-01
      3   0.555549D+01 -0.125645D+02  0.355449D+01 -0.604646D+01  0.179387D+01
                51            52            53            54            55 
      1   0.554550D+01  0.322314D+01  0.115147D+02  0.464217D+01 -0.365438D+01
      2   0.597457D+01  0.104495D+01  0.724017D+01  0.555096D+01  0.521950D+01
      3   0.100096D+01  0.431366D+01  0.226587D+00 -0.119451D+02  0.938155D+01
                56            57            58            59            60 
      1   0.195305D+00 -0.513303D+01 -0.174321D-01 -0.194134D+01  0.123746D+00
      2  -0.115505D+01  0.492324D+01  0.307420D+00  0.184404D+01 -0.299114D+00
      3  -0.980714D+01  0.614816D+01  0.214531D+01  0.309073D+01 -0.966745D+00
                61            62            63            64            65 
      1  -0.477725D+01  0.936229D+01  0.922478D+01  0.391540D+00 -0.404764D+01
      2  -0.127598D+00  0.860144D+00  0.184892D+01  0.815500D-01  0.199115D+01
      3   0.358262D+01 -0.146627D+01  0.415148D+01  0.317149D+01 -0.565540D+01
                66            67            68            69            70 
      1   0.413721D+00 -0.694993D+00  0.380465D+01 -0.176814D+01 -0.856454D-01
      2   0.518040D+01  0.129279D+00 -0.448244D+01 -0.221572D+01 -0.263652D+01
      3  -0.121885D+01  0.197671D+01  0.532485D+01  0.430122D+01  0.492881D+01
                71            72            73            74            75 
      1   0.745835D+01 -0.293209D+00  0.126419D+01  0.475862D+00  0.346182D+00
      2  -0.305106D+01 -0.137001D+02 -0.442101D-02 -0.617590D+00 -0.525699D-01
      3   0.877509D+01  0.257146D+01 -0.194761D-01 -0.118265D+01 -0.803221D+00
                76            77            78            79            80 
      1   0.227244D+00  0.221203D+01  0.102979D+01 -0.126106D+00  0.488815D+01
      2  -0.172615D+01 -0.100356D+00 -0.111695D+00 -0.312667D+01  0.377616D+00
      3   0.134565D+01 -0.449169D+00 -0.691323D+00  0.421658D+00 -0.531867D+00
                81            82            83            84            85 
      1   0.281059D+01 -0.607380D+00 -0.158093D+01 -0.347010D+00 -0.394441D+00
      2  -0.648028D-01 -0.107436D+01  0.514597D-02  0.389646D+01  0.166338D+01
      3  -0.978645D+00 -0.138333D+01 -0.390973D+01  0.587664D+00  0.603559D+00
                86            87            88            89            90 
      1  -0.917756D+00 -0.874633D+00 -0.162660D+00  0.245681D+01 -0.115168D+00
      2  -0.955107D+00  0.284747D+01 -0.120070D+01  0.221568D+01 -0.430926D+01
      3  -0.238719D+01  0.168751D+01 -0.117174D+01  0.314940D+01 -0.171716D+01
                91            92            93            94            95 
      1   0.294325D+01  0.171863D+01 -0.300528D+01  0.223143D+01  0.227287D+01
      2  -0.255236D+01 -0.266370D+01  0.345557D+01 -0.171467D+01 -0.232156D+01
      3   0.183625D+01 -0.262785D+01 -0.673050D+00  0.988824D+00 -0.225910D+01
                96            97            98            99           100 
      1  -0.205008D+01 -0.267341D+01 -0.131952D+01  0.308284D+01  0.289843D+01
      2   0.245276D+01  0.255079D+01  0.277848D+01 -0.433007D+01 -0.524979D+01
      3   0.283675D+00 -0.966651D+00  0.279963D+01 -0.400100D+00 -0.102368D+02
               101           102           103           104           105 
      1   0.109734D+00  0.404460D+01 -0.239667D+00 -0.300604D+00 -0.141528D+01
      2   0.206627D+01 -0.319492D+00  0.179436D+01 -0.124244D+01  0.137554D+00
      3   0.368931D+01 -0.549863D+01  0.512380D+01 -0.211719D+01  0.141887D+01
               106           107           108           109           110 
      1   0.285931D+01  0.890610D-03  0.278358D+01 -0.100279D+01  0.115485D+01
      2  -0.388134D+01  0.834629D+00 -0.816804D+00 -0.772339D-01  0.429394D+00
      3  -0.779474D+01  0.178895D+01 -0.382774D+01 -0.148046D+00 -0.198942D+00
               111           112           113           114           115 
      1   0.772194D+00  0.153688D+01 -0.492661D+01 -0.610981D+01  0.116157D+01
      2  -0.139111D-01  0.569889D+00 -0.948481D+00 -0.116225D+01 -0.129794D+01
      3   0.759129D+00  0.210939D+01 -0.619591D+00 -0.538405D+00  0.426019D+01
               116           117           118           119           120 
      1  -0.517228D+01 -0.123501D+02 -0.687500D+00  0.334810D+00 -0.237107D+01
      2  -0.120589D+01 -0.140806D+01 -0.171930D+01 -0.947659D+00 -0.142031D+01
      3   0.186843D+00 -0.127024D+00  0.237097D+01  0.209281D+01  0.186242D+01
               121           122           123           124           125 
      1  -0.538369D-02 -0.171659D+01 -0.492296D+01 -0.162541D+01 -0.127920D+01
      2  -0.112517D+01 -0.325814D+01 -0.375753D+01 -0.411622D+01 -0.465803D+01
      3   0.333019D+01  0.423322D+01  0.365769D+01  0.314699D+01  0.518710D+01
               126           127           128           129           130 
      1  -0.104041D+02  0.291704D+01 -0.864792D+00  0.292842D+01 -0.940774D+00
      2  -0.986282D+01  0.447573D+01 -0.111621D+01  0.498881D+01 -0.606385D+00
      3   0.702243D+01 -0.105300D+02 -0.246536D+01 -0.157727D+01  0.210631D+01
               131           132           133           134           135 
      1   0.805200D+00 -0.195390D+01  0.140115D+01 -0.607558D+00  0.859663D+00
      2   0.115631D+01 -0.142375D+01  0.106078D+01 -0.158677D+01  0.987966D+00
      3  -0.455287D+00 -0.334201D+00 -0.185900D+01 -0.829284D+00  0.499707D+00
               136           137           138           139           140 
      1   0.275270D+01  0.123983D+01 -0.418644D+01  0.152602D+01  0.311381D+01
      2   0.268590D+01  0.893251D+00 -0.153618D+01  0.117143D+01  0.202484D+01
      3   0.706842D+01  0.455207D+01 -0.386013D+01  0.595211D+01  0.622555D+01
               141           142           143           144           145 
      1  -0.521933D+01 -0.264306D+01 -0.242425D+01  0.611948D+01  0.755926D+00
      2  -0.225297D+01 -0.360384D+01 -0.303805D+01  0.343380D+01  0.102659D+01
      3  -0.391336D+01 -0.535249D+01 -0.506891D+01  0.605183D+01 -0.127084D+01
               146           147           148           149           150 
      1  -0.949644D+00  0.756024D+00 -0.121696D+01  0.111786D+02 -0.279160D+01
      2  -0.900069D+00 -0.516163D+00 -0.174891D+01  0.328942D+01  0.272665D+01
      3   0.584909D+00 -0.969664D-02  0.424507D+01 -0.152967D+02 -0.139659D+01
               151           152           153           154           155 
      1   0.862019D+00  0.937104D+00  0.797586D+00 -0.228891D+01 -0.303125D+01
      2  -0.181097D+01  0.128601D+01  0.555072D+00  0.804797D+01  0.232435D+01
      3  -0.203081D+00 -0.577714D+00 -0.199948D+01  0.366018D+00  0.515966D+00
               156           157           158           159           160 
      1   0.190716D+01 -0.116569D+01 -0.192273D+01  0.143902D+01  0.183086D+01
      2  -0.598783D+01  0.303326D+01  0.282090D+01 -0.377882D+01 -0.768746D+01
      3   0.479198D+00  0.152930D+01  0.209073D+00 -0.136700D+01  0.381080D+00
               161           162           163           164           165 
      1   0.441754D+01 -0.437644D+01 -0.320060D+01  0.268872D+01 -0.125093D+01
      2  -0.264039D+01  0.102584D+02 -0.593910D+01  0.115903D+01  0.318489D+01
      3  -0.998070D+00  0.393766D+00  0.675691D+01 -0.577157D+01  0.177500D+01
               166           167           168           169           170 
      1   0.116503D+01 -0.592418D+00  0.664646D-01 -0.134579D+01  0.166517D+01
      2   0.109561D+01 -0.143335D+00 -0.175845D+01 -0.154801D+01 -0.736015D+00
      3  -0.181467D+01  0.993109D+00 -0.728496D+00  0.158538D+01 -0.995644D+00
               171 
      1  -0.125349D+01
      2   0.132277D+01
      3   0.184883D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258028D+02  0.909943D+01 -0.221770D+02  0.109419D+02  0.106221D+02
      2   0.220180D+02 -0.324350D+01  0.470041D+01 -0.544370D+01 -0.158462D+02
      3   0.378474D+01 -0.585593D+01  0.174765D+02 -0.549823D+01  0.522410D+01
      4   0.355969D+01  0.520832D+01 -0.144966D+01  0.470606D+01 -0.191073D+02
      5  -0.233386D+02  0.463652D+01 -0.332177D+01  0.640910D+01 -0.898394D+00
      6   0.228454D+01  0.267367D+01 -0.163323D+00  0.152162D+01 -0.102149D+02
                 6             7             8             9            10 
      1  -0.195624D+01 -0.173990D+02 -0.303009D+01  0.578182D+01  0.726779D+01
      2  -0.785334D+01  0.378060D+01 -0.572470D+01 -0.114230D+01 -0.279151D+01
      3   0.980957D+01  0.136184D+02  0.875479D+01 -0.463952D+01 -0.447628D+01
      4  -0.207430D+01 -0.648099D+00  0.126283D+00  0.105433D+02 -0.112629D+02
      5   0.649310D+01 -0.755021D+00  0.793386D+01  0.632924D+01  0.152559D+02
      6   0.943027D+00  0.152319D+01  0.776145D+00  0.759222D+01  0.520064D+01
                11            12            13            14            15 
      1  -0.113656D+02  0.122254D+02 -0.903928D+01 -0.228428D+01  0.271954D+01
      2   0.105245D+02 -0.728311D+01  0.979124D+01 -0.329303D+01 -0.125170D+01
      3   0.841065D+00 -0.494228D+01 -0.751966D+00  0.557731D+01 -0.146784D+01
      4  -0.201145D+01  0.213678D+01 -0.516605D+01  0.972648D+01  0.429805D+01
      5   0.254107D+01 -0.951652D+01  0.326923D+00  0.672628D+01 -0.113759D+02
      6  -0.838925D+00 -0.620666D+00  0.126812D+01 -0.191981D+01 -0.168732D+01
                16            17            18            19            20 
      1   0.102893D+02  0.125229D+01 -0.111546D+02 -0.939092D+01 -0.610361D+01
      2  -0.662311D+01 -0.232337D+01  0.799253D+01  0.761087D+01  0.756694D+01
      3  -0.366616D+01  0.107108D+01  0.316208D+01  0.178004D+01 -0.146333D+01
      4  -0.614684D+00  0.343270D+00 -0.116976D+02  0.136244D+01 -0.140428D+01
      5  -0.108940D+02 -0.120838D+02  0.180531D+01 -0.567584D+01 -0.642939D+00
      6  -0.258546D+01  0.284695D+00  0.118195D+01 -0.670969D+01 -0.497131D+01
                21            22            23            24            25 
      1   0.348055D+01  0.280647D+01  0.807343D+01  0.223720D+01 -0.744697D-01
      2   0.111939D+01 -0.453448D+00 -0.915291D+01  0.581201D+01  0.148077D+01
      3  -0.459994D+01 -0.235302D+01  0.107948D+01 -0.804921D+01 -0.140630D+01
      4  -0.261602D+00 -0.776114D+01 -0.155559D+01  0.144794D+01  0.385904D+01
      5   0.982257D+00  0.423303D+01 -0.988305D+00  0.585167D+00  0.216022D+01
      6   0.241541D+01  0.166666D+01  0.771123D+01 -0.666023D+01 -0.181084D-01
                26            27            28            29            30 
      1   0.658819D+01  0.687619D+01 -0.122358D+01  0.252461D+01 -0.122965D+01
      2   0.290806D+01  0.100221D+02  0.134319D+01 -0.472825D+01 -0.651769D+01
      3  -0.949625D+01 -0.168983D+02 -0.119616D+00  0.220364D+01  0.774733D+01
      4   0.835472D+00 -0.130181D+01  0.247836D+01 -0.302686D+01 -0.727717D+01
      5  -0.127555D+01 -0.478689D+01  0.575249D+01 -0.658830D+01 -0.423207D+01
      6   0.196123D+01 -0.549750D+01 -0.285121D+01 -0.177809D+00  0.824538D+00
                31            32            33            34            35 
      1   0.510729D+01  0.461262D+01 -0.631047D+01  0.972452D+01 -0.387265D+01
      2  -0.627610D+01 -0.996522D+01  0.991140D+01 -0.912158D+01 -0.157583D+01
      3   0.116881D+01  0.535260D+01 -0.360093D+01 -0.602943D+00  0.544848D+01
      4  -0.519733D+01 -0.261086D+01 -0.396229D+01 -0.111249D+02  0.580155D+01
      5  -0.174325D+02 -0.360078D+01  0.405365D+01 -0.112111D+02  0.414484D+01
      6  -0.447303D+01 -0.724023D+01 -0.140954D+01 -0.426224D+00 -0.300745D+01
                36            37            38            39            40 
      1  -0.103537D+01 -0.618493D+00  0.263578D+00  0.796874D+01 -0.208891D+01
      2   0.888296D+01 -0.661898D+00 -0.137572D+01 -0.213097D+01  0.186531D+01
      3  -0.784759D+01  0.128039D+01  0.111215D+01 -0.583778D+01  0.223598D+00
      4   0.574009D+01 -0.515167D+01 -0.111939D+01  0.108884D+02  0.693338D+01
      5   0.182302D+02  0.117316D+02  0.739165D+01  0.218038D+01  0.104919D+02
      6  -0.327284D+01  0.781371D+01  0.676820D+01 -0.133634D+01  0.649760D+01
                41            42            43            44            45 
      1  -0.148639D+02  0.301749D+01  0.118437D+02  0.511797D+01 -0.441651D+01
      2   0.254346D+02  0.441176D+00 -0.208418D+01  0.381174D+01 -0.687165D+00
      3  -0.105707D+02 -0.345866D+01 -0.975955D+01 -0.892971D+01  0.510367D+01
      4   0.122189D+02  0.940040D+01  0.178199D+02  0.157161D+02 -0.228066D+00
      5   0.101679D+02  0.288823D+01  0.324170D+01  0.317015D+01  0.111337D+02
      6   0.859739D+01  0.685582D+01 -0.125021D+01  0.676136D+01  0.871770D+01
                46            47            48            49            50 
      1  -0.251651D+02  0.200304D+02 -0.815806D+01  0.135111D+02  0.112330D+01
      2   0.617233D+01 -0.139721D+02  0.709381D+01 -0.112526D+02  0.919927D+01
      3   0.189928D+02 -0.605828D+01  0.106425D+01 -0.225851D+01 -0.103226D+02
      4   0.250278D+02 -0.608824D+01  0.616463D+01 -0.281461D+01 -0.118857D+02
      5  -0.517852D+01  0.590650D+00  0.818303D+01  0.901977D-01 -0.349218D+01
      6   0.522364D+01  0.157773D+01 -0.104797D+02  0.365296D+00  0.266331D+01
                51            52            53            54            55 
      1   0.112505D+01 -0.936910D+01  0.250479D+01  0.200440D+02  0.826688D+01
      2   0.445293D+01  0.678708D+01  0.440069D+01 -0.134893D+02 -0.374011D+01
      3  -0.557798D+01  0.258202D+01 -0.690548D+01 -0.655471D+01 -0.452677D+01
      4  -0.707028D+00  0.710870D+01  0.976626D+00  0.370913D+01  0.146620D+02
      5   0.984196D+01  0.747679D+01  0.105793D+02  0.809016D+01 -0.938220D+01
      6  -0.133052D+02 -0.750298D+01 -0.155197D+02 -0.109518D+02  0.112316D+02
                56            57            58            59            60 
      1   0.141927D+01 -0.275660D+01 -0.141461D+01 -0.179234D+02  0.545477D+01
      2   0.175281D+01  0.432229D+01  0.387430D+01  0.279302D+02 -0.976422D+01
      3  -0.317208D+01 -0.156569D+01 -0.245969D+01 -0.100068D+02  0.430945D+01
      4  -0.435105D+01  0.837950D+01  0.271735D+01  0.512631D+01 -0.125750D+01
      5   0.498056D+01 -0.323774D+01  0.136867D+01 -0.146987D+01  0.843826D+00
      6  -0.303042D+01  0.714277D+01 -0.343524D+01 -0.149858D+02  0.351705D+01
                61            62            63            64            65 
      1  -0.267107D+00  0.790414D+01 -0.614253D+01  0.224092D+02 -0.345068D+01
      2   0.396824D+01 -0.105981D+02 -0.872316D+01 -0.161910D+02  0.210230D+01
      3  -0.370114D+01  0.269399D+01  0.148657D+02 -0.621823D+01  0.134839D+01
      4   0.668591D+01  0.989035D+00  0.815839D+01 -0.858017D+01  0.129443D+02
      5  -0.117552D+01  0.332421D+01 -0.343635D+01 -0.171647D+02  0.647561D+01
      6   0.817572D+01  0.865390D+00 -0.140319D+02  0.314000D+01 -0.228509D+01
                66            67            68            69            70 
      1  -0.919810D+01 -0.777711D+01 -0.226689D+01  0.157302D+01 -0.108616D+02
      2   0.108897D+02  0.524952D+01  0.375976D+01 -0.563566D+01  0.107979D+02
      3  -0.169156D+01  0.252758D+01 -0.149287D+01  0.406263D+01  0.637361D-01
      4   0.546021D+01  0.114802D+02 -0.122242D+02 -0.749074D+01  0.605112D+01
      5   0.162611D+02  0.919444D+01 -0.728926D+01 -0.773901D+01  0.217247D+02
      6  -0.316760D+01 -0.332058D+01  0.458026D+01  0.990330D+01 -0.152828D+01
                71            72            73            74            75 
      1  -0.224589D+01 -0.336994D+01  0.653023D+00  0.578507D+00 -0.209032D+00
      2  -0.128567D+01 -0.222760D+02 -0.435085D+01 -0.947412D+00 -0.189148D+01
      3   0.353156D+01  0.256459D+02  0.369783D+01  0.368905D+00  0.210051D+01
      4  -0.123522D+02 -0.949138D+01  0.163207D+00  0.190087D+01  0.352385D+00
      5  -0.715132D+01 -0.300487D+02  0.225241D+01  0.130345D+01  0.650553D+01
      6   0.910302D+01  0.696820D+01  0.140744D+01  0.236712D+00  0.335902D+00
                76            77            78            79            80 
      1   0.371210D+00 -0.414683D+01 -0.448662D+01 -0.995215D+00 -0.258859D+01
      2  -0.873613D+00 -0.821952D+00 -0.352876D+01 -0.164987D+01 -0.431095D+01
      3   0.502404D+00  0.496879D+01  0.801538D+01  0.264508D+01  0.689954D+01
      4   0.210530D+01  0.327243D+00  0.423841D+00  0.202635D+00  0.819423D+00
      5   0.560814D+00  0.682801D+00  0.178543D+01  0.541028D+01  0.108635D+01
      6   0.398769D+00  0.360223D+01  0.696291D+01 -0.527853D-01  0.625127D+01
                81            82            83            84            85 
      1  -0.169222D+02  0.165767D+02  0.595011D+01 -0.921412D+01  0.603734D+01
      2  -0.163097D+02 -0.111230D+02 -0.425076D+01  0.729416D+01 -0.353597D+01
      3   0.332319D+02 -0.545369D+01 -0.169934D+01  0.191996D+01 -0.250136D+01
      4   0.283461D+00  0.899501D+01  0.854927D+01 -0.445556D+01  0.909260D+01
      5   0.557352D+01 -0.153129D+02 -0.486114D+01  0.145708D+02 -0.533542D+01
      6   0.356223D+01 -0.352977D+01 -0.256180D+01  0.300768D+01 -0.360501D+01
                86            87            88            89            90 
      1   0.263755D+01 -0.198211D+01 -0.808116D+01 -0.138863D+01  0.428352D+01
      2  -0.104394D+00  0.130184D+01  0.829179D+01  0.306196D+01 -0.109971D+02
      3  -0.253315D+01  0.680272D+00 -0.210628D+00 -0.167333D+01  0.671357D+01
      4   0.719714D+01 -0.632448D+01 -0.404585D+01 -0.608286D+01  0.685541D+01
      5  -0.657350D+01  0.793196D+01  0.151953D+02  0.725903D+01 -0.184835D+02
      6  -0.450011D+01  0.598873D+01  0.329908D+01  0.528584D+01 -0.588873D+01
                91            92            93            94            95 
      1   0.194496D+02  0.990849D+01 -0.584222D+01  0.381763D+01  0.202609D+01
      2  -0.540527D+01  0.382478D-01  0.172392D+01  0.257337D+01  0.626846D+01
      3  -0.140443D+02 -0.994673D+01  0.411830D+01 -0.639100D+01 -0.829454D+01
      4   0.213977D+02  0.178647D+02 -0.647043D+01  0.125610D+02  0.148882D+02
      5  -0.712825D+01 -0.449263D+01  0.648483D+01 -0.251787D+01 -0.289648D+01
      6  -0.497670D+01 -0.337080D+01  0.364057D+01 -0.256177D+01 -0.357446D+01
                96            97            98            99           100 
      1  -0.474783D+00 -0.936827D+01 -0.443954D+01  0.319385D+01  0.330227D+01
      2  -0.154377D+01  0.257581D+01 -0.170721D+01 -0.895341D+00 -0.247278D+00
      3   0.201855D+01  0.679246D+01  0.614674D+01 -0.229851D+01 -0.305499D+01
      4  -0.439847D+01 -0.141766D+02 -0.135530D+02  0.875924D+01 -0.195665D+02
      5   0.317658D+01  0.899523D+01  0.683285D+01 -0.740639D+01  0.138893D+02
      6   0.364176D+01  0.664113D+01  0.704277D+01 -0.654943D+01 -0.134095D+02
               101           102           103           104           105 
      1   0.221786D+01 -0.528684D+00  0.784709D+00 -0.319418D+01  0.156926D+01
      2  -0.565760D+01 -0.122983D+01 -0.381619D+01  0.688460D+01 -0.245523D+01
      3   0.343974D+01  0.175851D+01  0.303148D+01 -0.369042D+01  0.885968D+00
      4   0.153126D+02 -0.113255D+02  0.116735D+02 -0.746961D+01  0.391345D+01
      5  -0.832605D+01  0.108909D+02 -0.463423D+01  0.419328D+01 -0.215701D+01
      6   0.995516D+01 -0.108170D+02  0.570893D+01 -0.651779D+01  0.582598D+01
               106           107           108           109           110 
      1  -0.154648D+00  0.284054D+01 -0.283018D+01 -0.909721D+00  0.547728D-01
      2  -0.204786D+01 -0.223325D+01 -0.181154D+01  0.152798D+01 -0.290462D+01
      3   0.220250D+01 -0.607290D+00  0.464172D+01 -0.618254D+00  0.284985D+01
      4  -0.125095D+02  0.530993D+01 -0.759819D+01 -0.124558D+01  0.418558D+01
      5   0.109780D+02 -0.470933D+01  0.791624D+01 -0.183086D+00 -0.911836D+00
      6  -0.908982D+01  0.858003D+01 -0.971011D+01 -0.304917D+00 -0.210664D+01
               111           112           113           114           115 
      1   0.175401D+01 -0.595703D+00 -0.620388D+01 -0.128029D+01  0.288244D-01
      2  -0.212837D+01 -0.193762D+01  0.126085D+02  0.700617D+01 -0.220094D+01
      3   0.374356D+00  0.253332D+01 -0.640465D+01 -0.572588D+01  0.217212D+01
      4   0.232812D-01  0.502663D+01 -0.357104D+01 -0.285460D+01  0.393108D+01
      5   0.214667D+01 -0.737338D+00 -0.126750D+01 -0.108708D+01  0.674931D+00
      6   0.183549D+00 -0.218074D+01  0.422748D+01  0.954430D+01 -0.755913D+00
               116           117           118           119           120 
      1  -0.690166D+01 -0.283408D+01  0.260851D-01 -0.573803D+01 -0.397872D+01
      2   0.141357D+02  0.879772D+01  0.805117D-01  0.473653D+01  0.117223D+01
      3  -0.723406D+01 -0.596364D+01 -0.106597D+00  0.100150D+01  0.280649D+01
      4  -0.463150D+01 -0.167305D+01 -0.137292D+01  0.177292D+01  0.176596D+01
      5  -0.899212D+00 -0.205184D+01 -0.578145D+00  0.291954D+00  0.704883D+00
      6   0.740250D+01  0.145669D+02  0.285235D+01  0.275445D+01  0.504688D+01
               121           122           123           124           125 
      1  -0.320087D+01 -0.102279D+02 -0.778301D+01 -0.424663D+01 -0.105940D+02
      2   0.233981D+01  0.107235D+02  0.652218D+01  0.124202D+01  0.892208D+01
      3   0.861051D+00 -0.495665D+00  0.126083D+01  0.300461D+01  0.167191D+01
      4   0.353954D+01 -0.444574D+01 -0.395954D+01  0.528776D+01 -0.795384D+01
      5   0.101274D+01 -0.487375D+01 -0.664170D+01  0.330270D+01 -0.930587D+01
      6   0.954197D+00  0.113857D+02  0.147320D+02  0.171916D+01  0.178864D+02
               126           127           128           129           130 
      1  -0.179850D+02  0.475242D+02 -0.118635D+02  0.398751D+01 -0.564575D+01
      2   0.162976D+01 -0.178861D+02 -0.152386D+01 -0.176897D+01 -0.211000D+01
      3   0.163552D+02 -0.296382D+02  0.133874D+02 -0.221854D+01  0.775575D+01
      4  -0.563553D+01 -0.374860D+02  0.224010D+02 -0.265312D+01  0.151754D+02
      5  -0.170255D+02  0.426714D+00  0.550262D+00  0.819291D+01  0.136664D+00
      6   0.259167D+02 -0.176711D+01 -0.315412D+00 -0.452802D+01  0.639150D-01
               131           132           133           134           135 
      1   0.496830D+01 -0.693619D-01  0.592641D+01 -0.147975D+01  0.259389D+01
      2   0.236400D+01 -0.100994D+01 -0.232217D+01 -0.132485D+01 -0.123419D+01
      3  -0.733231D+01  0.107930D+01 -0.360424D+01  0.280460D+01 -0.135970D+01
      4  -0.992247D+01  0.141982D+01 -0.569667D+01  0.375264D+01 -0.453701D+01
      5   0.638865D+00 -0.201890D+01  0.705019D+01 -0.365374D+01  0.156928D+01
      6  -0.536306D+00  0.342264D+01 -0.308332D+01  0.426010D+01 -0.489441D+00
               136           137           138           139           140 
      1  -0.222634D+01 -0.894859D+01  0.502823D+01 -0.655371D+01 -0.115703D+02
      2   0.391783D+01  0.106561D+02 -0.419783D+01  0.667862D+01  0.166038D+02
      3  -0.169149D+01 -0.170755D+01 -0.830400D+00 -0.124914D+00 -0.503347D+01
      4   0.324444D+01  0.901267D+00 -0.303489D+01  0.431361D+01 -0.192158D+01
      5   0.116648D+01  0.721904D+00 -0.252278D+01  0.992374D+00  0.274407D+01
      6  -0.454870D+01 -0.394816D+01  0.714937D+01 -0.296174D+01 -0.758931D+01
               141           142           143           144           145 
      1   0.571769D+01  0.600607D+01  0.844368D+01 -0.111385D+02  0.188207D+01
      2  -0.812188D+01 -0.407445D+01 -0.120234D+02  0.722136D+01  0.971265D-01
      3   0.240419D+01 -0.193162D+01  0.357968D+01  0.391715D+01 -0.197920D+01
      4   0.115485D+00 -0.558257D+01  0.364314D+01 -0.218059D-01  0.265144D+01
      5  -0.424087D+01 -0.937151D+00 -0.452219D+01  0.500904D+01  0.238105D+01
      6   0.971120D+01  0.476184D+01  0.109914D+02 -0.111625D+02  0.807990D+00
               146           147           148           149           150 
      1   0.281232D+01  0.281159D+01  0.426670D+01 -0.152735D+02 -0.346703D+01
      2  -0.154086D+01 -0.640657D+00 -0.186867D+01  0.275305D+02  0.112498D+01
      3  -0.127146D+01 -0.217093D+01 -0.239803D+01 -0.122570D+02  0.234205D+01
      4   0.442834D+01  0.362404D+00  0.761599D+01  0.274652D+02  0.606857D+01
      5   0.120176D+01  0.129411D+01  0.418497D+01  0.440334D+01  0.566104D+01
      6  -0.585238D+00 -0.315437D+00  0.175718D+01  0.191198D+02  0.963270D+01
               151           152           153           154           155 
      1   0.583182D+00 -0.287262D+01 -0.419954D+01 -0.312073D+01 -0.266632D+01
      2   0.152804D+00  0.124825D+01  0.225086D+01 -0.281709D+01 -0.411461D+00
      3  -0.735986D+00  0.162437D+01  0.194868D+01  0.593782D+01  0.307778D+01
      4   0.781376D-01  0.161268D+01  0.175515D+01 -0.186079D+01 -0.230510D+01
      5   0.131347D+01  0.225970D+01  0.495223D+00 -0.217653D+01 -0.163637D+01
      6  -0.393255D+00  0.745389D+01  0.247574D+01 -0.154553D+01 -0.385536D+01
               156           157           158           159           160 
      1   0.107374D+02 -0.387592D+01 -0.535587D+01  0.480466D+01  0.905915D+01
      2   0.336217D+01  0.956834D+00  0.194133D+01  0.375398D+01  0.665783D+00
      3  -0.140996D+02  0.291908D+01  0.341454D+01 -0.855864D+01 -0.972493D+01
      4   0.120587D+01 -0.900573D+00 -0.643931D+00  0.202405D+01  0.220909D+01
      5  -0.373948D+00 -0.277247D+01  0.258892D+00 -0.360320D+01  0.443601D+01
      6   0.543778D+00 -0.220309D+01 -0.263259D+01  0.478747D+01  0.758745D+00
               161           162           163           164           165 
      1   0.336128D+01 -0.160722D+02  0.502727D+02 -0.370466D+01  0.133656D+02
      2   0.251775D+01 -0.104273D+02 -0.321403D+02  0.266954D+01 -0.129226D+02
      3  -0.587904D+01  0.264994D+02 -0.181324D+02  0.103512D+01 -0.442967D+00
      4   0.319295D+01 -0.317199D+01  0.374816D+01  0.841363D+01  0.192911D+01
      5  -0.581000D+00  0.528267D+01  0.318131D+02 -0.148551D+01  0.194786D+02
      6   0.521509D+01 -0.159448D+01 -0.318800D+00  0.408105D+01  0.113761D+01
               166           167           168           169           170 
      1  -0.796169D+01  0.353006D+01 -0.156917D+01  0.832266D+01  0.240117D+00
      2   0.525724D+01 -0.629840D+00  0.315865D+01 -0.865210D+01  0.940674D+00
      3   0.270445D+01 -0.290022D+01 -0.158947D+01  0.329434D+00 -0.118079D+01
      4   0.677883D+01 -0.827672D+00  0.246752D+01  0.116540D+01  0.145428D+01
      5  -0.557198D+01  0.353458D+01 -0.439730D+01  0.148929D+02 -0.164451D+01
      6   0.308910D+01 -0.435488D+00  0.226448D+01  0.571262D+00  0.198241D+01
               171 
      1   0.554667D+01
      2  -0.858507D+01
      3   0.303840D+01
      4  -0.447779D+00
      5   0.103549D+02
      6  -0.921821D-01
 Leave Link  716 at Mon Aug 16 21:38:36 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.818797D+02  0.763772D+00 -0.144981D+01
      2   0.763772D+00  0.835763D+02  0.174061D+01
      3  -0.144981D+01  0.174061D+01  0.746711D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.148947D+01 -0.273591D+01 -0.139939D+01
      2   0.143587D+02 -0.247176D+01  0.254708D+02
      3   0.120184D+02 -0.263400D+02  0.264938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.749007D+02 -0.267263D+02  0.276025D+02
      2  -0.378332D+02  0.121468D+02 -0.234369D+02
      3  -0.370675D+02  0.145795D+02 -0.416563D+01
      4  -0.160761D+02  0.364250D+02  0.321991D+01
      5   0.194220D+02  0.274375D+01  0.411246D+02
      6   0.807034D+01 -0.155550D+02  0.916050D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.591724D+01  0.206566D+01 -0.353013D+01  0.244319D+01  0.910819D+00
      2   0.206566D+01  0.101180D+01 -0.170408D-01  0.910819D+00 -0.606187D+01
      3  -0.353013D+01 -0.170408D-01  0.177623D+01  0.170301D+00 -0.818329D+00
                 6             7             8             9            10 
      1   0.170301D+00 -0.279080D+01  0.537730D-01  0.223346D+01  0.506688D+01
      2  -0.818329D+00  0.537730D-01 -0.113498D+00  0.290760D+01 -0.310826D+01
      3   0.248930D+01  0.223346D+01  0.290760D+01  0.255350D+00  0.296159D+01
                11            12            13            14            15 
      1  -0.310826D+01  0.296159D+01 -0.430805D+01 -0.179605D+01  0.739542D+00
      2  -0.108213D+01  0.197867D+00 -0.179605D+01  0.346970D+01  0.109181D+01
      3   0.197867D+00 -0.260767D+01  0.739542D+00  0.109181D+01 -0.369674D+01
                16            17            18            19            20 
      1   0.526321D+01  0.243911D+00 -0.309122D+01 -0.514682D+01  0.422621D+01
      2   0.243911D+00  0.107830D+01 -0.409727D+01  0.422621D+01  0.168513D+01
      3  -0.309122D+01 -0.409727D+01 -0.595100D+00 -0.191518D+01 -0.940114D+00
                21            22            23            24            25 
      1  -0.191518D+01  0.199673D+01  0.109313D+01 -0.555372D-02 -0.272151D+01
      2  -0.940114D+00  0.109313D+01 -0.149658D+01  0.703627D+00 -0.122165D+01
      3   0.105515D+01 -0.555372D-02  0.703627D+00  0.273573D+01  0.137195D+01
                26            27            28            29            30 
      1  -0.122165D+01  0.137195D+01  0.302719D+00 -0.203164D+01 -0.118668D+00
      2  -0.972801D+00  0.338179D+01 -0.203164D+01  0.687376D+00  0.131651D+01
      3   0.338179D+01  0.363452D+01 -0.118668D+00  0.131651D+01  0.209535D+00
                31            32            33            34            35 
      1  -0.196921D+01 -0.460429D+00  0.224220D+01 -0.242172D+01  0.160554D+01
      2  -0.460429D+00 -0.433863D+00  0.850018D+00  0.160554D+01  0.131122D+00
      3   0.224220D+01  0.850018D+00 -0.286954D+01  0.106289D+01 -0.226100D+01
                36            37            38            39            40 
      1   0.106289D+01  0.266255D+01  0.695787D+00 -0.258285D+01  0.204683D+00
      2  -0.226100D+01  0.695787D+00  0.159794D+01 -0.139966D+01  0.672181D+00
      3  -0.304470D+01 -0.258285D+01 -0.139966D+01  0.101084D+01 -0.176665D+01
                41            42            43            44            45 
      1   0.672181D+00 -0.176665D+01 -0.388066D+01 -0.273471D+01  0.363155D+00
      2  -0.370248D+01 -0.215430D+01 -0.273471D+01 -0.382040D+01 -0.429291D+00
      3  -0.215430D+01  0.345798D+00  0.363155D+00 -0.429291D+00 -0.266892D+01
                46            47            48            49            50 
      1  -0.604134D+01  0.297831D+01 -0.199457D+01  0.223490D+01  0.176836D+01
      2   0.297831D+01  0.143456D+01  0.142813D-01  0.176836D+01 -0.260168D+01
      3  -0.199457D+01  0.142813D-01  0.260695D+01 -0.232077D+00 -0.463963D+00
                51            52            53            54            55 
      1  -0.232077D+00 -0.236190D+01 -0.682832D-01  0.227239D+01  0.432112D+01
      2  -0.463963D+00 -0.682832D-01 -0.628025D-02  0.417783D+01 -0.186365D+01
      3   0.366611D+01  0.227239D+01  0.417783D+01  0.294370D+01  0.233881D+01
                56            57            58            59            60 
      1  -0.186365D+01  0.233881D+01 -0.815634D+00  0.572699D+00 -0.386955D+00
      2   0.155445D+01 -0.247198D+00  0.572699D+00  0.365750D+01 -0.155989D+01
      3  -0.247198D+00  0.166760D+01 -0.386955D+00 -0.155989D+01 -0.116619D+01
                61            62            63            64            65 
      1   0.237154D+01 -0.455803D+00  0.162882D+01 -0.375945D+01  0.176419D+01
      2  -0.455803D+00 -0.193023D+01 -0.760905D+00  0.176419D+01 -0.179134D+01
      3   0.162882D+01 -0.760905D+00 -0.327031D+01  0.302788D+01 -0.775888D+00
                66            67            68            69            70 
      1   0.302788D+01  0.287632D+01 -0.124478D+01 -0.122127D+01  0.461520D+01
      2  -0.775888D+00 -0.124478D+01  0.377998D+01  0.173120D+01 -0.434862D+00
      3  -0.177541D+01 -0.122127D+01  0.173120D+01  0.248037D+01 -0.288925D+01
                71            72            73            74            75 
      1  -0.434862D+00 -0.288925D+01  0.274804D+00 -0.798493D+00 -0.962746D+00
      2   0.307086D+01  0.210084D+01 -0.798493D+00 -0.223947D+00 -0.312602D-01
      3   0.210084D+01  0.775132D+01 -0.962746D+00 -0.312602D-01 -0.580273D+00
                76            77            78            79            80 
      1  -0.117161D+01 -0.281695D+00 -0.179745D+00 -0.117849D+01  0.715505D-01
      2  -0.281695D+00 -0.925571D+00 -0.151944D+01  0.715505D-01 -0.178995D+01
      3  -0.179745D+00 -0.151944D+01 -0.190065D+01 -0.902150D+00 -0.150768D+01
                81            82            83            84            85 
      1  -0.902150D+00  0.307613D+01  0.148082D+01 -0.237530D+01  0.235099D+01
      2  -0.150768D+01  0.148082D+01  0.164618D+01 -0.632783D+00  0.158140D+01
      3  -0.723861D+01 -0.237530D+01 -0.632783D+00  0.249713D+01 -0.812094D+00
                86            87            88            89            90 
      1   0.158140D+01 -0.812094D+00 -0.335219D+01 -0.624544D+00  0.256663D+01
      2   0.142340D+01 -0.141160D+01 -0.624544D+00 -0.177354D+01  0.172920D+01
      3  -0.141160D+01  0.190632D+01  0.256663D+01  0.172920D+01 -0.383932D+01
                91            92            93            94            95 
      1  -0.481549D+01 -0.318808D+01  0.139887D+01 -0.203250D+01 -0.200705D+01
      2  -0.318808D+01 -0.334351D+01  0.988495D+00 -0.200705D+01 -0.328538D+01
      3   0.139887D+01  0.988495D+00 -0.142796D+01  0.697104D+00  0.747911D+00
                96            97            98            99           100 
      1   0.697104D+00  0.312931D+01  0.232280D+01 -0.183689D+01 -0.466341D+01
      2   0.747911D+00  0.232280D+01  0.280246D+01 -0.153085D+01  0.284128D+01
      3  -0.974190D+00 -0.183689D+01 -0.153085D+01  0.166141D+01 -0.259628D+01
               101           102           103           104           105 
      1   0.284128D+01 -0.259628D+01  0.191401D+01 -0.147053D+01  0.731425D+00
      2  -0.256069D+01  0.146814D+01 -0.147053D+01  0.205289D+01 -0.856174D+00
      3   0.146814D+01 -0.213480D+01  0.731425D+00 -0.856174D+00  0.760470D+00
               106           107           108           109           110 
      1  -0.337063D+01  0.132562D+01 -0.196201D+01 -0.137931D+00  0.599003D+00
      2   0.132562D+01 -0.181967D+01  0.139089D+01  0.599003D+00 -0.468382D+00
      3  -0.196201D+01  0.139089D+01 -0.227825D+01  0.102795D+00 -0.450935D+00
               111           112           113           114           115 
      1   0.102795D+00  0.902692D+00 -0.413529D+00 -0.522388D+00  0.127369D+01
      2  -0.450935D+00 -0.413529D+00  0.257758D+01  0.102081D+01 -0.492920D+00
      3   0.155969D-01 -0.522388D+00  0.102081D+01  0.190383D+01 -0.128841D+00
               116           117           118           119           120 
      1  -0.492920D+00 -0.128841D+00 -0.563480D-01 -0.781066D+00 -0.732775D+00
      2   0.309507D+01  0.158533D+01 -0.781066D+00 -0.933230D+00 -0.471429D+00
      3   0.158533D+01  0.351890D+01 -0.732775D+00 -0.471429D+00 -0.111907D+01
               121           122           123           124           125 
      1  -0.705593D+00 -0.286540D+00 -0.950285D-01 -0.126660D+01  0.141483D+00
      2  -0.286540D+00 -0.232944D+01 -0.191600D+01  0.141483D+00 -0.332849D+01
      3  -0.950285D-01 -0.191600D+01 -0.234326D+01 -0.517113D+00 -0.325909D+01
               126           127           128           129           130 
      1  -0.517113D+00  0.883211D+01 -0.329825D+01  0.822380D+00 -0.164417D+01
      2  -0.325909D+01 -0.329825D+01  0.272881D+01 -0.108087D+00  0.154525D+01
      3  -0.619507D+01  0.822380D+00 -0.108087D+00  0.115480D+01 -0.944679D-01
               131           132           133           134           135 
      1   0.154525D+01 -0.944679D-01  0.125101D+01 -0.454435D+00  0.922717D+00
      2  -0.115798D+01  0.212337D+00 -0.454435D+00  0.594906D+00 -0.871744D+00
      3   0.212337D+00 -0.511358D+00  0.922717D+00 -0.871744D+00  0.174230D+00
               136           137           138           139           140 
      1  -0.162242D+01 -0.103454D+01  0.116695D+01 -0.114635D+01 -0.887892D+00
      2  -0.103454D+01 -0.203971D+01  0.721431D+00 -0.887892D+00 -0.285694D+01
      3   0.116695D+01  0.721431D+00 -0.164689D+01  0.487662D+00  0.135118D+01
               141           142           143           144           145 
      1   0.487662D+00  0.168596D+01  0.434222D+00 -0.112548D+01  0.544821D+00
      2   0.135118D+01  0.434222D+00  0.277129D+01 -0.202996D+01  0.823277D+00
      3  -0.170563D+01 -0.112548D+01 -0.202996D+01  0.257855D+01  0.377464D+00
               146           147           148           149           150 
      1   0.823277D+00  0.377464D+00  0.150800D+01  0.293904D+00  0.530010D+00
      2  -0.128073D+00 -0.114846D-01  0.293904D+00  0.833234D+01  0.150528D+01
      3  -0.114846D-01 -0.345251D+00  0.530010D+00  0.150528D+01  0.180359D+01
               151           152           153           154           155 
      1   0.987624D-01  0.716121D-01 -0.308086D+00 -0.174729D+01 -0.763403D+00
      2   0.716121D-01  0.603170D+00  0.768000D+00 -0.763403D+00 -0.112152D+01
      3  -0.308086D+00  0.768000D+00  0.330088D+00  0.136661D+01  0.382305D+00
               156           157           158           159           160 
      1   0.136661D+01 -0.116104D+01 -0.615886D+00  0.248828D+00  0.172232D+01
      2   0.382305D+00 -0.615886D+00 -0.525078D+00  0.102832D+01  0.335821D+00
      3  -0.267163D+01  0.248828D+00  0.102832D+01 -0.204360D+01 -0.123886D+01
               161           162           163           164           165 
      1   0.335821D+00 -0.123886D+01  0.882660D+01 -0.607152D+00  0.324515D+01
      2   0.115509D+01 -0.899219D+00 -0.607152D+00  0.134631D+01 -0.314984D-02
      3  -0.899219D+00  0.481616D+01  0.324515D+01 -0.314984D-02  0.231512D+01
               166           167           168           169           170 
      1  -0.147736D+01  0.102665D+01 -0.530845D+00  0.193350D+01 -0.119125D+00
      2   0.102665D+01  0.834869D-01  0.457193D+00 -0.119125D+00  0.252591D+00
      3  -0.530845D+00  0.457193D+00 -0.880375D+00  0.157790D+01 -0.394473D+00
               171 
      1   0.157790D+01
      2  -0.394473D+00
      3   0.146605D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.568530D+01  0.146606D+01 -0.110206D+01  0.370345D+00 -0.999061D+01
      2   0.723176D+00 -0.231967D+01  0.124662D+02 -0.252491D+01 -0.298490D+01
      3  -0.826174D+01 -0.293121D+01 -0.305073D+01  0.179448D+01  0.119697D+02
                 6             7             8             9            10 
      1  -0.659477D+01 -0.137474D+01 -0.690084D+00  0.331148D+01  0.128909D+01
      2   0.468631D+01  0.682266D+01  0.573438D+01 -0.245495D+01  0.987122D+01
      3   0.158924D+01 -0.213800D+01 -0.111292D-01 -0.371340D+01  0.445859D+01
                11            12            13            14            15 
      1  -0.213459D+00 -0.372784D+00 -0.139646D+01 -0.641416D+00 -0.340540D+01
      2   0.455449D-01  0.292790D+00 -0.308251D+01  0.917368D+00 -0.373022D+01
      3  -0.914269D+00 -0.190190D+01  0.526196D+01 -0.628069D+01  0.669336D+00
                16            17            18            19            20 
      1  -0.577294D+00  0.294939D+01  0.120468D+01 -0.303838D+01 -0.261458D+01
      2  -0.347095D+01 -0.404405D+01 -0.268388D+01 -0.531635D+01  0.678954D+00
      3   0.247966D+01  0.377891D+00  0.460329D+01 -0.293365D+00 -0.202232D+01
                21            22            23            24            25 
      1  -0.665311D+00 -0.100297D+01  0.376699D+01 -0.234381D+01  0.399021D+00
      2   0.125604D+01  0.996089D+00 -0.889539D+00  0.207147D+01 -0.943320D+01
      3   0.179092D+01  0.233060D+01 -0.140504D+01  0.147302D+01 -0.155727D+01
                26            27            28            29            30 
      1   0.347057D+01 -0.468138D+01  0.122631D+01  0.521238D+01  0.224382D+01
      2  -0.130798D+00 -0.182116D+00 -0.948884D+01 -0.309583D+01  0.212695D+01
      3   0.827157D+00  0.638229D+00 -0.823756D+01 -0.376039D+01  0.280693D+00
                31            32            33            34            35 
      1   0.217676D+01 -0.652739D+01 -0.106285D+01  0.943419D+00  0.294098D+00
      2   0.256799D+01  0.243042D+01 -0.133171D+01 -0.407334D+01 -0.164809D+01
      3   0.190924D+01  0.451449D+01 -0.509051D+01 -0.605700D+01 -0.116817D+02
                36            37            38            39            40 
      1   0.452412D+01 -0.275130D+01 -0.592688D+00 -0.413783D-01 -0.343915D+00
      2   0.113172D+02  0.464117D+01  0.345343D+01 -0.121644D+00 -0.978665D+00
      3  -0.162275D+00 -0.967042D+00  0.588805D+00  0.485480D+00  0.604738D+01
                41            42            43            44            45 
      1   0.483701D+00 -0.502602D+01  0.309337D+01  0.386520D+01 -0.501673D+01
      2   0.275229D+01  0.925437D+00 -0.440319D+01  0.103040D+01  0.526233D+01
      3  -0.670302D+01 -0.177950D+01  0.199992D+01 -0.115809D+01 -0.291014D+01
                46            47            48            49            50 
      1  -0.489251D+01 -0.701203D+00  0.506317D+01 -0.109046D+01  0.969265D+00
      2  -0.607561D+01  0.639599D+00  0.553079D+01  0.178662D+00  0.907174D-01
      3   0.555549D+01 -0.125645D+02  0.355449D+01 -0.604646D+01  0.179387D+01
                51            52            53            54            55 
      1   0.554550D+01  0.322314D+01  0.115147D+02  0.464217D+01 -0.365438D+01
      2   0.597457D+01  0.104495D+01  0.724017D+01  0.555096D+01  0.521950D+01
      3   0.100096D+01  0.431366D+01  0.226587D+00 -0.119451D+02  0.938155D+01
                56            57            58            59            60 
      1   0.195305D+00 -0.513303D+01 -0.174321D-01 -0.194134D+01  0.123746D+00
      2  -0.115505D+01  0.492324D+01  0.307420D+00  0.184404D+01 -0.299114D+00
      3  -0.980714D+01  0.614816D+01  0.214531D+01  0.309073D+01 -0.966745D+00
                61            62            63            64            65 
      1  -0.477725D+01  0.936229D+01  0.922478D+01  0.391540D+00 -0.404764D+01
      2  -0.127598D+00  0.860144D+00  0.184892D+01  0.815500D-01  0.199115D+01
      3   0.358262D+01 -0.146627D+01  0.415148D+01  0.317149D+01 -0.565540D+01
                66            67            68            69            70 
      1   0.413721D+00 -0.694993D+00  0.380465D+01 -0.176814D+01 -0.856454D-01
      2   0.518040D+01  0.129279D+00 -0.448244D+01 -0.221572D+01 -0.263652D+01
      3  -0.121885D+01  0.197671D+01  0.532485D+01  0.430122D+01  0.492881D+01
                71            72            73            74            75 
      1   0.745835D+01 -0.293209D+00  0.126419D+01  0.475862D+00  0.346182D+00
      2  -0.305106D+01 -0.137001D+02 -0.442101D-02 -0.617590D+00 -0.525699D-01
      3   0.877509D+01  0.257146D+01 -0.194761D-01 -0.118265D+01 -0.803221D+00
                76            77            78            79            80 
      1   0.227244D+00  0.221203D+01  0.102979D+01 -0.126106D+00  0.488815D+01
      2  -0.172615D+01 -0.100356D+00 -0.111695D+00 -0.312667D+01  0.377616D+00
      3   0.134565D+01 -0.449169D+00 -0.691323D+00  0.421658D+00 -0.531867D+00
                81            82            83            84            85 
      1   0.281059D+01 -0.607380D+00 -0.158093D+01 -0.347010D+00 -0.394441D+00
      2  -0.648028D-01 -0.107436D+01  0.514597D-02  0.389646D+01  0.166338D+01
      3  -0.978645D+00 -0.138333D+01 -0.390973D+01  0.587664D+00  0.603559D+00
                86            87            88            89            90 
      1  -0.917756D+00 -0.874633D+00 -0.162660D+00  0.245681D+01 -0.115168D+00
      2  -0.955107D+00  0.284747D+01 -0.120070D+01  0.221568D+01 -0.430926D+01
      3  -0.238719D+01  0.168751D+01 -0.117174D+01  0.314940D+01 -0.171716D+01
                91            92            93            94            95 
      1   0.294325D+01  0.171863D+01 -0.300528D+01  0.223143D+01  0.227287D+01
      2  -0.255236D+01 -0.266370D+01  0.345557D+01 -0.171467D+01 -0.232156D+01
      3   0.183625D+01 -0.262785D+01 -0.673050D+00  0.988824D+00 -0.225910D+01
                96            97            98            99           100 
      1  -0.205008D+01 -0.267341D+01 -0.131952D+01  0.308284D+01  0.289843D+01
      2   0.245276D+01  0.255079D+01  0.277848D+01 -0.433007D+01 -0.524979D+01
      3   0.283675D+00 -0.966651D+00  0.279963D+01 -0.400100D+00 -0.102368D+02
               101           102           103           104           105 
      1   0.109734D+00  0.404460D+01 -0.239667D+00 -0.300604D+00 -0.141528D+01
      2   0.206627D+01 -0.319492D+00  0.179436D+01 -0.124244D+01  0.137554D+00
      3   0.368931D+01 -0.549863D+01  0.512380D+01 -0.211719D+01  0.141887D+01
               106           107           108           109           110 
      1   0.285931D+01  0.890610D-03  0.278358D+01 -0.100279D+01  0.115485D+01
      2  -0.388134D+01  0.834629D+00 -0.816804D+00 -0.772339D-01  0.429394D+00
      3  -0.779474D+01  0.178895D+01 -0.382774D+01 -0.148046D+00 -0.198942D+00
               111           112           113           114           115 
      1   0.772194D+00  0.153688D+01 -0.492661D+01 -0.610981D+01  0.116157D+01
      2  -0.139111D-01  0.569889D+00 -0.948481D+00 -0.116225D+01 -0.129794D+01
      3   0.759129D+00  0.210939D+01 -0.619591D+00 -0.538405D+00  0.426019D+01
               116           117           118           119           120 
      1  -0.517228D+01 -0.123501D+02 -0.687500D+00  0.334810D+00 -0.237107D+01
      2  -0.120589D+01 -0.140806D+01 -0.171930D+01 -0.947659D+00 -0.142031D+01
      3   0.186843D+00 -0.127024D+00  0.237097D+01  0.209281D+01  0.186242D+01
               121           122           123           124           125 
      1  -0.538369D-02 -0.171659D+01 -0.492296D+01 -0.162541D+01 -0.127920D+01
      2  -0.112517D+01 -0.325814D+01 -0.375753D+01 -0.411622D+01 -0.465803D+01
      3   0.333019D+01  0.423322D+01  0.365769D+01  0.314699D+01  0.518710D+01
               126           127           128           129           130 
      1  -0.104041D+02  0.291704D+01 -0.864792D+00  0.292842D+01 -0.940774D+00
      2  -0.986282D+01  0.447573D+01 -0.111621D+01  0.498881D+01 -0.606385D+00
      3   0.702243D+01 -0.105300D+02 -0.246536D+01 -0.157727D+01  0.210631D+01
               131           132           133           134           135 
      1   0.805200D+00 -0.195390D+01  0.140115D+01 -0.607558D+00  0.859663D+00
      2   0.115631D+01 -0.142375D+01  0.106078D+01 -0.158677D+01  0.987966D+00
      3  -0.455287D+00 -0.334201D+00 -0.185900D+01 -0.829284D+00  0.499707D+00
               136           137           138           139           140 
      1   0.275270D+01  0.123983D+01 -0.418644D+01  0.152602D+01  0.311381D+01
      2   0.268590D+01  0.893251D+00 -0.153618D+01  0.117143D+01  0.202484D+01
      3   0.706842D+01  0.455207D+01 -0.386013D+01  0.595211D+01  0.622555D+01
               141           142           143           144           145 
      1  -0.521933D+01 -0.264306D+01 -0.242425D+01  0.611948D+01  0.755926D+00
      2  -0.225297D+01 -0.360384D+01 -0.303805D+01  0.343380D+01  0.102659D+01
      3  -0.391336D+01 -0.535249D+01 -0.506891D+01  0.605183D+01 -0.127084D+01
               146           147           148           149           150 
      1  -0.949644D+00  0.756024D+00 -0.121696D+01  0.111786D+02 -0.279160D+01
      2  -0.900069D+00 -0.516163D+00 -0.174891D+01  0.328942D+01  0.272665D+01
      3   0.584909D+00 -0.969664D-02  0.424507D+01 -0.152967D+02 -0.139659D+01
               151           152           153           154           155 
      1   0.862019D+00  0.937104D+00  0.797586D+00 -0.228891D+01 -0.303125D+01
      2  -0.181097D+01  0.128601D+01  0.555072D+00  0.804797D+01  0.232435D+01
      3  -0.203081D+00 -0.577714D+00 -0.199948D+01  0.366018D+00  0.515966D+00
               156           157           158           159           160 
      1   0.190716D+01 -0.116569D+01 -0.192273D+01  0.143902D+01  0.183086D+01
      2  -0.598783D+01  0.303326D+01  0.282090D+01 -0.377882D+01 -0.768746D+01
      3   0.479198D+00  0.152930D+01  0.209073D+00 -0.136700D+01  0.381080D+00
               161           162           163           164           165 
      1   0.441754D+01 -0.437644D+01 -0.320060D+01  0.268872D+01 -0.125093D+01
      2  -0.264039D+01  0.102584D+02 -0.593910D+01  0.115903D+01  0.318489D+01
      3  -0.998070D+00  0.393766D+00  0.675691D+01 -0.577157D+01  0.177500D+01
               166           167           168           169           170 
      1   0.116503D+01 -0.592418D+00  0.664646D-01 -0.134579D+01  0.166517D+01
      2   0.109561D+01 -0.143335D+00 -0.175845D+01 -0.154801D+01 -0.736015D+00
      3  -0.181467D+01  0.993109D+00 -0.728496D+00  0.158538D+01 -0.995644D+00
               171 
      1  -0.125349D+01
      2   0.132277D+01
      3   0.184883D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258028D+02  0.909943D+01 -0.221770D+02  0.109419D+02  0.106221D+02
      2   0.220180D+02 -0.324350D+01  0.470041D+01 -0.544370D+01 -0.158462D+02
      3   0.378474D+01 -0.585593D+01  0.174765D+02 -0.549823D+01  0.522410D+01
      4   0.355969D+01  0.520832D+01 -0.144966D+01  0.470606D+01 -0.191073D+02
      5  -0.233386D+02  0.463652D+01 -0.332177D+01  0.640910D+01 -0.898394D+00
      6   0.228454D+01  0.267367D+01 -0.163323D+00  0.152162D+01 -0.102149D+02
                 6             7             8             9            10 
      1  -0.195624D+01 -0.173990D+02 -0.303009D+01  0.578182D+01  0.726779D+01
      2  -0.785334D+01  0.378060D+01 -0.572470D+01 -0.114230D+01 -0.279151D+01
      3   0.980957D+01  0.136184D+02  0.875479D+01 -0.463952D+01 -0.447628D+01
      4  -0.207430D+01 -0.648099D+00  0.126283D+00  0.105433D+02 -0.112629D+02
      5   0.649310D+01 -0.755021D+00  0.793386D+01  0.632924D+01  0.152559D+02
      6   0.943027D+00  0.152319D+01  0.776145D+00  0.759222D+01  0.520064D+01
                11            12            13            14            15 
      1  -0.113656D+02  0.122254D+02 -0.903928D+01 -0.228428D+01  0.271954D+01
      2   0.105245D+02 -0.728311D+01  0.979124D+01 -0.329303D+01 -0.125170D+01
      3   0.841065D+00 -0.494228D+01 -0.751966D+00  0.557731D+01 -0.146784D+01
      4  -0.201145D+01  0.213678D+01 -0.516605D+01  0.972648D+01  0.429805D+01
      5   0.254107D+01 -0.951652D+01  0.326923D+00  0.672628D+01 -0.113759D+02
      6  -0.838925D+00 -0.620666D+00  0.126812D+01 -0.191981D+01 -0.168732D+01
                16            17            18            19            20 
      1   0.102893D+02  0.125229D+01 -0.111546D+02 -0.939092D+01 -0.610361D+01
      2  -0.662311D+01 -0.232337D+01  0.799253D+01  0.761087D+01  0.756694D+01
      3  -0.366616D+01  0.107108D+01  0.316208D+01  0.178004D+01 -0.146333D+01
      4  -0.614684D+00  0.343270D+00 -0.116976D+02  0.136244D+01 -0.140428D+01
      5  -0.108940D+02 -0.120838D+02  0.180531D+01 -0.567584D+01 -0.642939D+00
      6  -0.258546D+01  0.284695D+00  0.118195D+01 -0.670969D+01 -0.497131D+01
                21            22            23            24            25 
      1   0.348055D+01  0.280647D+01  0.807343D+01  0.223720D+01 -0.744697D-01
      2   0.111939D+01 -0.453448D+00 -0.915291D+01  0.581201D+01  0.148077D+01
      3  -0.459994D+01 -0.235302D+01  0.107948D+01 -0.804921D+01 -0.140630D+01
      4  -0.261602D+00 -0.776114D+01 -0.155559D+01  0.144794D+01  0.385904D+01
      5   0.982257D+00  0.423303D+01 -0.988305D+00  0.585167D+00  0.216022D+01
      6   0.241541D+01  0.166666D+01  0.771123D+01 -0.666023D+01 -0.181084D-01
                26            27            28            29            30 
      1   0.658819D+01  0.687619D+01 -0.122358D+01  0.252461D+01 -0.122965D+01
      2   0.290806D+01  0.100221D+02  0.134319D+01 -0.472825D+01 -0.651769D+01
      3  -0.949625D+01 -0.168983D+02 -0.119616D+00  0.220364D+01  0.774733D+01
      4   0.835472D+00 -0.130181D+01  0.247836D+01 -0.302686D+01 -0.727717D+01
      5  -0.127555D+01 -0.478689D+01  0.575249D+01 -0.658830D+01 -0.423207D+01
      6   0.196123D+01 -0.549750D+01 -0.285121D+01 -0.177809D+00  0.824538D+00
                31            32            33            34            35 
      1   0.510729D+01  0.461262D+01 -0.631047D+01  0.972452D+01 -0.387265D+01
      2  -0.627610D+01 -0.996522D+01  0.991140D+01 -0.912158D+01 -0.157583D+01
      3   0.116881D+01  0.535260D+01 -0.360093D+01 -0.602943D+00  0.544848D+01
      4  -0.519733D+01 -0.261086D+01 -0.396229D+01 -0.111249D+02  0.580155D+01
      5  -0.174325D+02 -0.360078D+01  0.405365D+01 -0.112111D+02  0.414484D+01
      6  -0.447303D+01 -0.724023D+01 -0.140954D+01 -0.426224D+00 -0.300745D+01
                36            37            38            39            40 
      1  -0.103537D+01 -0.618493D+00  0.263578D+00  0.796874D+01 -0.208891D+01
      2   0.888296D+01 -0.661898D+00 -0.137572D+01 -0.213097D+01  0.186531D+01
      3  -0.784759D+01  0.128039D+01  0.111215D+01 -0.583778D+01  0.223598D+00
      4   0.574009D+01 -0.515167D+01 -0.111939D+01  0.108884D+02  0.693338D+01
      5   0.182302D+02  0.117316D+02  0.739165D+01  0.218038D+01  0.104919D+02
      6  -0.327284D+01  0.781371D+01  0.676820D+01 -0.133634D+01  0.649760D+01
                41            42            43            44            45 
      1  -0.148639D+02  0.301749D+01  0.118437D+02  0.511797D+01 -0.441651D+01
      2   0.254346D+02  0.441176D+00 -0.208418D+01  0.381174D+01 -0.687165D+00
      3  -0.105707D+02 -0.345866D+01 -0.975955D+01 -0.892971D+01  0.510367D+01
      4   0.122189D+02  0.940040D+01  0.178199D+02  0.157161D+02 -0.228066D+00
      5   0.101679D+02  0.288823D+01  0.324170D+01  0.317015D+01  0.111337D+02
      6   0.859739D+01  0.685582D+01 -0.125021D+01  0.676136D+01  0.871770D+01
                46            47            48            49            50 
      1  -0.251651D+02  0.200304D+02 -0.815806D+01  0.135111D+02  0.112330D+01
      2   0.617233D+01 -0.139721D+02  0.709381D+01 -0.112526D+02  0.919927D+01
      3   0.189928D+02 -0.605828D+01  0.106425D+01 -0.225851D+01 -0.103226D+02
      4   0.250278D+02 -0.608824D+01  0.616463D+01 -0.281461D+01 -0.118857D+02
      5  -0.517852D+01  0.590650D+00  0.818303D+01  0.901977D-01 -0.349218D+01
      6   0.522364D+01  0.157773D+01 -0.104797D+02  0.365296D+00  0.266331D+01
                51            52            53            54            55 
      1   0.112505D+01 -0.936910D+01  0.250479D+01  0.200440D+02  0.826688D+01
      2   0.445293D+01  0.678708D+01  0.440069D+01 -0.134893D+02 -0.374011D+01
      3  -0.557798D+01  0.258202D+01 -0.690548D+01 -0.655471D+01 -0.452677D+01
      4  -0.707028D+00  0.710870D+01  0.976626D+00  0.370913D+01  0.146620D+02
      5   0.984196D+01  0.747679D+01  0.105793D+02  0.809016D+01 -0.938220D+01
      6  -0.133052D+02 -0.750298D+01 -0.155197D+02 -0.109518D+02  0.112316D+02
                56            57            58            59            60 
      1   0.141927D+01 -0.275660D+01 -0.141461D+01 -0.179234D+02  0.545477D+01
      2   0.175281D+01  0.432229D+01  0.387430D+01  0.279302D+02 -0.976422D+01
      3  -0.317208D+01 -0.156569D+01 -0.245969D+01 -0.100068D+02  0.430945D+01
      4  -0.435105D+01  0.837950D+01  0.271735D+01  0.512631D+01 -0.125750D+01
      5   0.498056D+01 -0.323774D+01  0.136867D+01 -0.146987D+01  0.843826D+00
      6  -0.303042D+01  0.714277D+01 -0.343524D+01 -0.149858D+02  0.351705D+01
                61            62            63            64            65 
      1  -0.267107D+00  0.790414D+01 -0.614253D+01  0.224092D+02 -0.345068D+01
      2   0.396824D+01 -0.105981D+02 -0.872316D+01 -0.161910D+02  0.210230D+01
      3  -0.370114D+01  0.269399D+01  0.148657D+02 -0.621823D+01  0.134839D+01
      4   0.668591D+01  0.989035D+00  0.815839D+01 -0.858017D+01  0.129443D+02
      5  -0.117552D+01  0.332421D+01 -0.343635D+01 -0.171647D+02  0.647561D+01
      6   0.817572D+01  0.865390D+00 -0.140319D+02  0.314000D+01 -0.228509D+01
                66            67            68            69            70 
      1  -0.919810D+01 -0.777711D+01 -0.226689D+01  0.157302D+01 -0.108616D+02
      2   0.108897D+02  0.524952D+01  0.375976D+01 -0.563566D+01  0.107979D+02
      3  -0.169156D+01  0.252758D+01 -0.149287D+01  0.406263D+01  0.637361D-01
      4   0.546021D+01  0.114802D+02 -0.122242D+02 -0.749074D+01  0.605112D+01
      5   0.162611D+02  0.919444D+01 -0.728926D+01 -0.773901D+01  0.217247D+02
      6  -0.316760D+01 -0.332058D+01  0.458026D+01  0.990330D+01 -0.152828D+01
                71            72            73            74            75 
      1  -0.224589D+01 -0.336994D+01  0.653023D+00  0.578507D+00 -0.209032D+00
      2  -0.128567D+01 -0.222760D+02 -0.435085D+01 -0.947412D+00 -0.189148D+01
      3   0.353156D+01  0.256459D+02  0.369783D+01  0.368905D+00  0.210051D+01
      4  -0.123522D+02 -0.949138D+01  0.163207D+00  0.190087D+01  0.352385D+00
      5  -0.715132D+01 -0.300487D+02  0.225241D+01  0.130345D+01  0.650553D+01
      6   0.910302D+01  0.696820D+01  0.140744D+01  0.236712D+00  0.335902D+00
                76            77            78            79            80 
      1   0.371210D+00 -0.414683D+01 -0.448662D+01 -0.995215D+00 -0.258859D+01
      2  -0.873613D+00 -0.821952D+00 -0.352876D+01 -0.164987D+01 -0.431095D+01
      3   0.502404D+00  0.496879D+01  0.801538D+01  0.264508D+01  0.689954D+01
      4   0.210530D+01  0.327243D+00  0.423841D+00  0.202635D+00  0.819423D+00
      5   0.560814D+00  0.682801D+00  0.178543D+01  0.541028D+01  0.108635D+01
      6   0.398769D+00  0.360223D+01  0.696291D+01 -0.527853D-01  0.625127D+01
                81            82            83            84            85 
      1  -0.169222D+02  0.165767D+02  0.595011D+01 -0.921412D+01  0.603734D+01
      2  -0.163097D+02 -0.111230D+02 -0.425076D+01  0.729416D+01 -0.353597D+01
      3   0.332319D+02 -0.545369D+01 -0.169934D+01  0.191996D+01 -0.250136D+01
      4   0.283461D+00  0.899501D+01  0.854927D+01 -0.445556D+01  0.909260D+01
      5   0.557352D+01 -0.153129D+02 -0.486114D+01  0.145708D+02 -0.533542D+01
      6   0.356223D+01 -0.352977D+01 -0.256180D+01  0.300768D+01 -0.360501D+01
                86            87            88            89            90 
      1   0.263755D+01 -0.198211D+01 -0.808116D+01 -0.138863D+01  0.428352D+01
      2  -0.104394D+00  0.130184D+01  0.829179D+01  0.306196D+01 -0.109971D+02
      3  -0.253315D+01  0.680272D+00 -0.210628D+00 -0.167333D+01  0.671357D+01
      4   0.719714D+01 -0.632448D+01 -0.404585D+01 -0.608286D+01  0.685541D+01
      5  -0.657350D+01  0.793196D+01  0.151953D+02  0.725903D+01 -0.184835D+02
      6  -0.450011D+01  0.598873D+01  0.329908D+01  0.528584D+01 -0.588873D+01
                91            92            93            94            95 
      1   0.194496D+02  0.990849D+01 -0.584222D+01  0.381763D+01  0.202609D+01
      2  -0.540527D+01  0.382478D-01  0.172392D+01  0.257337D+01  0.626846D+01
      3  -0.140443D+02 -0.994673D+01  0.411830D+01 -0.639100D+01 -0.829454D+01
      4   0.213977D+02  0.178647D+02 -0.647043D+01  0.125610D+02  0.148882D+02
      5  -0.712825D+01 -0.449263D+01  0.648483D+01 -0.251787D+01 -0.289648D+01
      6  -0.497670D+01 -0.337080D+01  0.364057D+01 -0.256177D+01 -0.357446D+01
                96            97            98            99           100 
      1  -0.474783D+00 -0.936827D+01 -0.443954D+01  0.319385D+01  0.330227D+01
      2  -0.154377D+01  0.257581D+01 -0.170721D+01 -0.895341D+00 -0.247278D+00
      3   0.201855D+01  0.679246D+01  0.614674D+01 -0.229851D+01 -0.305499D+01
      4  -0.439847D+01 -0.141766D+02 -0.135530D+02  0.875924D+01 -0.195665D+02
      5   0.317658D+01  0.899523D+01  0.683285D+01 -0.740639D+01  0.138893D+02
      6   0.364176D+01  0.664113D+01  0.704277D+01 -0.654943D+01 -0.134095D+02
               101           102           103           104           105 
      1   0.221786D+01 -0.528684D+00  0.784709D+00 -0.319418D+01  0.156926D+01
      2  -0.565760D+01 -0.122983D+01 -0.381619D+01  0.688460D+01 -0.245523D+01
      3   0.343974D+01  0.175851D+01  0.303148D+01 -0.369042D+01  0.885968D+00
      4   0.153126D+02 -0.113255D+02  0.116735D+02 -0.746961D+01  0.391345D+01
      5  -0.832605D+01  0.108909D+02 -0.463423D+01  0.419328D+01 -0.215701D+01
      6   0.995516D+01 -0.108170D+02  0.570893D+01 -0.651779D+01  0.582598D+01
               106           107           108           109           110 
      1  -0.154648D+00  0.284054D+01 -0.283018D+01 -0.909721D+00  0.547728D-01
      2  -0.204786D+01 -0.223325D+01 -0.181154D+01  0.152798D+01 -0.290462D+01
      3   0.220250D+01 -0.607290D+00  0.464172D+01 -0.618254D+00  0.284985D+01
      4  -0.125095D+02  0.530993D+01 -0.759819D+01 -0.124558D+01  0.418558D+01
      5   0.109780D+02 -0.470933D+01  0.791624D+01 -0.183086D+00 -0.911836D+00
      6  -0.908982D+01  0.858003D+01 -0.971011D+01 -0.304917D+00 -0.210664D+01
               111           112           113           114           115 
      1   0.175401D+01 -0.595703D+00 -0.620388D+01 -0.128029D+01  0.288244D-01
      2  -0.212837D+01 -0.193762D+01  0.126085D+02  0.700617D+01 -0.220094D+01
      3   0.374356D+00  0.253332D+01 -0.640465D+01 -0.572588D+01  0.217212D+01
      4   0.232812D-01  0.502663D+01 -0.357104D+01 -0.285460D+01  0.393108D+01
      5   0.214667D+01 -0.737338D+00 -0.126750D+01 -0.108708D+01  0.674931D+00
      6   0.183549D+00 -0.218074D+01  0.422748D+01  0.954430D+01 -0.755913D+00
               116           117           118           119           120 
      1  -0.690166D+01 -0.283408D+01  0.260851D-01 -0.573803D+01 -0.397872D+01
      2   0.141357D+02  0.879772D+01  0.805117D-01  0.473653D+01  0.117223D+01
      3  -0.723406D+01 -0.596364D+01 -0.106597D+00  0.100150D+01  0.280649D+01
      4  -0.463150D+01 -0.167305D+01 -0.137292D+01  0.177292D+01  0.176596D+01
      5  -0.899212D+00 -0.205184D+01 -0.578145D+00  0.291954D+00  0.704883D+00
      6   0.740250D+01  0.145669D+02  0.285235D+01  0.275445D+01  0.504688D+01
               121           122           123           124           125 
      1  -0.320087D+01 -0.102279D+02 -0.778301D+01 -0.424663D+01 -0.105940D+02
      2   0.233981D+01  0.107235D+02  0.652218D+01  0.124202D+01  0.892208D+01
      3   0.861051D+00 -0.495665D+00  0.126083D+01  0.300461D+01  0.167191D+01
      4   0.353954D+01 -0.444574D+01 -0.395954D+01  0.528776D+01 -0.795384D+01
      5   0.101274D+01 -0.487375D+01 -0.664170D+01  0.330270D+01 -0.930587D+01
      6   0.954197D+00  0.113857D+02  0.147320D+02  0.171916D+01  0.178864D+02
               126           127           128           129           130 
      1  -0.179850D+02  0.475242D+02 -0.118635D+02  0.398751D+01 -0.564575D+01
      2   0.162976D+01 -0.178861D+02 -0.152386D+01 -0.176897D+01 -0.211000D+01
      3   0.163552D+02 -0.296382D+02  0.133874D+02 -0.221854D+01  0.775575D+01
      4  -0.563553D+01 -0.374860D+02  0.224010D+02 -0.265312D+01  0.151754D+02
      5  -0.170255D+02  0.426714D+00  0.550262D+00  0.819291D+01  0.136664D+00
      6   0.259167D+02 -0.176711D+01 -0.315412D+00 -0.452802D+01  0.639150D-01
               131           132           133           134           135 
      1   0.496830D+01 -0.693619D-01  0.592641D+01 -0.147975D+01  0.259389D+01
      2   0.236400D+01 -0.100994D+01 -0.232217D+01 -0.132485D+01 -0.123419D+01
      3  -0.733231D+01  0.107930D+01 -0.360424D+01  0.280460D+01 -0.135970D+01
      4  -0.992247D+01  0.141982D+01 -0.569667D+01  0.375264D+01 -0.453701D+01
      5   0.638865D+00 -0.201890D+01  0.705019D+01 -0.365374D+01  0.156928D+01
      6  -0.536306D+00  0.342264D+01 -0.308332D+01  0.426010D+01 -0.489441D+00
               136           137           138           139           140 
      1  -0.222634D+01 -0.894859D+01  0.502823D+01 -0.655371D+01 -0.115703D+02
      2   0.391783D+01  0.106561D+02 -0.419783D+01  0.667862D+01  0.166038D+02
      3  -0.169149D+01 -0.170755D+01 -0.830400D+00 -0.124914D+00 -0.503347D+01
      4   0.324444D+01  0.901267D+00 -0.303489D+01  0.431361D+01 -0.192158D+01
      5   0.116648D+01  0.721904D+00 -0.252278D+01  0.992374D+00  0.274407D+01
      6  -0.454870D+01 -0.394816D+01  0.714937D+01 -0.296174D+01 -0.758931D+01
               141           142           143           144           145 
      1   0.571769D+01  0.600607D+01  0.844368D+01 -0.111385D+02  0.188207D+01
      2  -0.812188D+01 -0.407445D+01 -0.120234D+02  0.722136D+01  0.971265D-01
      3   0.240419D+01 -0.193162D+01  0.357968D+01  0.391715D+01 -0.197920D+01
      4   0.115485D+00 -0.558257D+01  0.364314D+01 -0.218059D-01  0.265144D+01
      5  -0.424087D+01 -0.937151D+00 -0.452219D+01  0.500904D+01  0.238105D+01
      6   0.971120D+01  0.476184D+01  0.109914D+02 -0.111625D+02  0.807990D+00
               146           147           148           149           150 
      1   0.281232D+01  0.281159D+01  0.426670D+01 -0.152735D+02 -0.346703D+01
      2  -0.154086D+01 -0.640657D+00 -0.186867D+01  0.275305D+02  0.112498D+01
      3  -0.127146D+01 -0.217093D+01 -0.239803D+01 -0.122570D+02  0.234205D+01
      4   0.442834D+01  0.362404D+00  0.761599D+01  0.274652D+02  0.606857D+01
      5   0.120176D+01  0.129411D+01  0.418497D+01  0.440334D+01  0.566104D+01
      6  -0.585238D+00 -0.315437D+00  0.175718D+01  0.191198D+02  0.963270D+01
               151           152           153           154           155 
      1   0.583182D+00 -0.287262D+01 -0.419954D+01 -0.312073D+01 -0.266632D+01
      2   0.152804D+00  0.124825D+01  0.225086D+01 -0.281709D+01 -0.411461D+00
      3  -0.735986D+00  0.162437D+01  0.194868D+01  0.593782D+01  0.307778D+01
      4   0.781376D-01  0.161268D+01  0.175515D+01 -0.186079D+01 -0.230510D+01
      5   0.131347D+01  0.225970D+01  0.495223D+00 -0.217653D+01 -0.163637D+01
      6  -0.393255D+00  0.745389D+01  0.247574D+01 -0.154553D+01 -0.385536D+01
               156           157           158           159           160 
      1   0.107374D+02 -0.387592D+01 -0.535587D+01  0.480466D+01  0.905915D+01
      2   0.336217D+01  0.956834D+00  0.194133D+01  0.375398D+01  0.665783D+00
      3  -0.140996D+02  0.291908D+01  0.341454D+01 -0.855864D+01 -0.972493D+01
      4   0.120587D+01 -0.900573D+00 -0.643931D+00  0.202405D+01  0.220909D+01
      5  -0.373948D+00 -0.277247D+01  0.258892D+00 -0.360320D+01  0.443601D+01
      6   0.543778D+00 -0.220309D+01 -0.263259D+01  0.478747D+01  0.758745D+00
               161           162           163           164           165 
      1   0.336128D+01 -0.160722D+02  0.502727D+02 -0.370466D+01  0.133656D+02
      2   0.251775D+01 -0.104273D+02 -0.321403D+02  0.266954D+01 -0.129226D+02
      3  -0.587904D+01  0.264994D+02 -0.181324D+02  0.103512D+01 -0.442967D+00
      4   0.319295D+01 -0.317199D+01  0.374816D+01  0.841363D+01  0.192911D+01
      5  -0.581000D+00  0.528267D+01  0.318131D+02 -0.148551D+01  0.194786D+02
      6   0.521509D+01 -0.159448D+01 -0.318800D+00  0.408105D+01  0.113761D+01
               166           167           168           169           170 
      1  -0.796169D+01  0.353006D+01 -0.156917D+01  0.832266D+01  0.240117D+00
      2   0.525724D+01 -0.629840D+00  0.315865D+01 -0.865210D+01  0.940674D+00
      3   0.270445D+01 -0.290022D+01 -0.158947D+01  0.329434D+00 -0.118079D+01
      4   0.677883D+01 -0.827672D+00  0.246752D+01  0.116540D+01  0.145428D+01
      5  -0.557198D+01  0.353458D+01 -0.439730D+01  0.148929D+02 -0.164451D+01
      6   0.308910D+01 -0.435488D+00  0.226448D+01  0.571262D+00  0.198241D+01
               171 
      1   0.554667D+01
      2  -0.858507D+01
      3   0.303840D+01
      4  -0.447779D+00
      5   0.103549D+02
      6  -0.921821D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800424D+02      0.118611D+02      0.131972D+02
   aniso      0.917703D+01      0.135990D+01      0.151309D+01
   xx         0.818797D+02      0.121333D+02      0.135001D+02
   yx         0.763772D+00      0.113179D+00      0.125929D+00
   yy         0.835763D+02      0.123847D+02      0.137799D+02
   zx        -0.144981D+01     -0.214840D+00     -0.239042D+00
   zy         0.174061D+01      0.257932D+00      0.286988D+00
   zz         0.746711D+02      0.110651D+02      0.123116D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800424D+02      0.118611D+02      0.131972D+02
   aniso      0.917703D+01      0.135990D+01      0.151309D+01
   xx         0.820880D+02      0.121642D+02      0.135345D+02
   yx        -0.204418D+00     -0.302916D-01     -0.337039D-01
   yy         0.752872D+02      0.111564D+02      0.124132D+02
   zx        -0.133617D+00     -0.198000D-01     -0.220305D-01
   zy         0.330816D+01      0.490219D+00      0.545442D+00
   zz         0.827519D+02      0.122626D+02      0.136439D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-24\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
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 14006,-0.268656\C,-0.10806,0.405959,-0.756755\C,-1.184071,-0.188475,0.
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 .0496561,0.0023518,0.0315313\Polar=76.2567823,0.3463207,77.9479083,-0.
 8369621,1.9198834,69.30006\Quadrupole=1.4781039,0.1226564,-1.6007603,0
 .614,2.199438,-1.1111748\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.56364724,-0.
 01053974,0.56158824,-0.02303596,-0.03431690,0.47912861,-0.08212193,-0.
 00647709,-0.01475428,0.48201832,-0.00754283,-0.09225018,-0.03337693,0.
 03846715,0.49774689,-0.01587952,-0.03104742,-0.16357677,-0.05398344,-0
 .03609209,0.52071254,-0.01175460,-0.00074319,-0.00895795,-0.13017830,-
 0.00332835,-0.01014628,0.40823066,-0.01200461,0.00483810,-0.00137566,0
 .01574988,-0.07362641,0.00192731,0.00749423,0.50402437,-0.03078337,0.0
 0630145,-0.01189823,-0.02541156,0.00150696,-0.08181695,0.00986942,0.07
 946633,0.58154522,0.00119116,-0.00082336,-0.00045385,-0.03603939,-0.00
 686344,0.01627168,-0.12159574,-0.02149806,0.03029395,0.47354020,0.0004
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 0227,-0.08309683,0.02419319,0.02393166,0.56467107,-0.00294443,-0.00029
 867,0.00310767,0.00299024,-0.01109168,0.01587467,0.01321977,0.02090305
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 SUCCESS IS NEVER CERTAIN,
 FAILURE IS NEVER FINAL.
 Job cpu time:       0 days  2 hours 29 minutes 10.9 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 42.4 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:38:37 2021.
